6-Hydroxydihydrotheaspirane Woody Pine Herbal Green Earthy/ Musty Earthy Cool Camphor 65620-50-0 65620-50-0 Camphor Cool Earthy Earthy/ Musty Green Herbal Pine Woody Common Name : 6-Hydroxydihydrotheaspirane IUPAC Name : 2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol Molecular Formula : C13H24O2 SMILES : CC1CCC2(O1)C(CCCC2(C)O)(C)C Inchi : 1S/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3 Inchi Key : LJOISVFAMDWVFA-UHFFFAOYSA-N Cas No : 65620-50-0
Name Value Lipinski Violations 0 Ghose Violations 0 Veber Violations 0 Egan Violations 0 Muegge Violations 0
Name Value Molecular Weight (g/mol) 212.33 Mass (g/mol) 212.178 Molar Refractivity 62.44 Net Charge HBD 1 HBA 2 Rt Bonds 0 Rings 2 TPSA 29.46 Hetero Atoms 2 Heavy Atoms 15 Aromatic Heavy Atoms 0 Melting Point (°C) Boiling Point (°C@760.00mm Hg) 272.00 to 274.00 Vapor Pressure (mmHg@25.00 °C) 0.003 Vapor Density (Air =1) Fraction Csp3 1.00 LogP 2.885 iLOGP 2.90 XLOGP3 2.48 WLOGP 2.89 MLOGP 2.37 ESOL Log S -2.72 ESOL Solubility (mg/ml) 0.406 ESOL Solubility (mol/l) 0.002 ESOL Class: esol_class Soluble Ali Log S -2.74 Ali Solubility (mg/ml) 0.38 Ali Solubility (mol/l) 0 Ali Class Soluble Silicos-IT LogSw -2.83 Silicos-IT Solubility (mg/ml) 0.31 Silicos-IT Solubility (mol/l) 0 Silicos-IT Class Soluble
Name Value GI Absorption High BBB Permeable 1 PgP Substrate 0 Log Kp (cm/s) -5.83 Bioavailability Score 0.55 Caco2 1 Human Intestinal Absorption 1 Plasm Protein Binding 0.621 CYP1A2 Inhibitor 0 CYP2C19 Inhibitor 0 CYP2C9 Inhibitor 0 CYP2D6 inhibitor 0 CYP3A4 inhibitor 0 Ames mutagenesis 0 Acute Oral Toxicity 2.229 Carcinogenicity (Binary) 0 Carcinogenicity (Trinary) Non-required Eye Irritation 1 Hepatotoxicity 0 Androgen Receptor Binding 1 Aromatase Binding 0 Estrogen Receptor Binding 0 Glucocorticoid Receptor Binding 0 Thyroid Receptor Binding 0 BRCP inhibitor 0 BSEP inhibitor 0 OATP1B1 inhibitor 1 OATP1B3 inhibitor 1 OATP2B1 inhibitor 0 OCT1 inhibitor 0 OCT2 inhibitor 0