alpha,3,3-Trimethylcyclohexanemethanol Minty Camphor 25225-09-6 25225-09-6 Camphor Minty Common Name :alpha,3,3-Trimethylcyclohexanemethanol IUPAC Name :1-(3,3-dimethylcyclohexyl)ethanol Molecular Formula :C10H20O SMILES :CC(C1CCCC(C1)(C)C)O Inchi :1S/C10H20O/c1-8(11)9-5-4-6-10(2,3)7-9/h8-9,11H,4-7H2,1-3H3 Inchi Key :BVUYQSFBRKUJNK-UHFFFAOYSA-N Cas No :25225-09-6
Name Value Lipinski Violations 0 Ghose Violations 1 Veber Violations 0 Egan Violations 0 Muegge Violations 2
Name Value Molecular Weight (g/mol) 156.27 Mass (g/mol) 156.151 Molar Refractivity 48.97 Net Charge HBD 1 HBA 1 Rt Bonds 1 Rings 1 TPSA 20.23 Hetero Atoms 1 Heavy Atoms 11 Aromatic Heavy Atoms 0 Melting Point (°C) Boiling Point (°C@760.00mm Hg) 213.00 to 215.00 Vapor Pressure (mmHg@25.00 °C) 0.036 Vapor Density (Air =1) Fraction Csp3 1.00 LogP 2.584 iLOGP 2.52 XLOGP3 2.99 WLOGP 2.58 MLOGP 2.45 ESOL Log S -2.63 ESOL Solubility (mg/ml) 0.369 ESOL Solubility (mol/l) 0.002 ESOL Class: esol_class Soluble Ali Log S -3.08 Ali Solubility (mg/ml) 0.13 Ali Solubility (mol/l) 0 Ali Class Soluble Silicos-IT LogSw -1.93 Silicos-IT Solubility (mg/ml) 1.85 Silicos-IT Solubility (mol/l) 0.01 Silicos-IT Class Soluble
Name Value GI Absorption High BBB Permeable 1 PgP Substrate 0 Log Kp (cm/s) -5.13 Bioavailability Score 0.55 Caco2 1 Human Intestinal Absorption 1 Plasm Protein Binding 0.936 CYP1A2 Inhibitor 0 CYP2C19 Inhibitor 0 CYP2C9 Inhibitor 0 CYP2D6 inhibitor 0 CYP3A4 inhibitor 0 Ames mutagenesis 0 Acute Oral Toxicity 2.224 Carcinogenicity (Binary) 0 Carcinogenicity (Trinary) Non-required Eye Irritation 1 Hepatotoxicity 0 Androgen Receptor Binding 0 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
