Cyclopentanol, 2-(2-hexenyl)- Waxy Tropical Natural Jasmine Green Fruity Floral Banana 34686-67-4 34686-67-4 Banana Floral Fruity Green Jasmine Natural Tropical Waxy Common Name :Cyclopentanol, 2-(2-hexenyl)- IUPAC Name :2-[(E)-hex-2-enyl]cyclopentan-1-ol Molecular Formula :C11H20O SMILES :CCCC=CCC1CCCC1O Inchi :1S/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h4-5,10-12H,2-3,6-9H2,1H3/b5-4+ Inchi Key :OLPVLAJYJZWXPZ-SNAWJCMRSA-N Cas No :34686-67-4
Name Value Lipinski Violations 0 Ghose Violations 0 Veber Violations 0 Egan Violations 0 Muegge Violations 2
Name Value Molecular Weight (g/mol) 168.28 Mass (g/mol) 168.151 Molar Refractivity 53.56 Net Charge HBD 1 HBA 1 Rt Bonds 4 Rings 1 TPSA 20.23 Hetero Atoms 1 Heavy Atoms 12 Aromatic Heavy Atoms 0 Melting Point (°C) Boiling Point (°C@760.00mm Hg) 85.00 @ 2.00 mm Hg Vapor Pressure (mmHg@25.00 °C) 0.004 Vapor Density (Air =1) Fraction Csp3 0.82 LogP 2.974 iLOGP 2.80 XLOGP3 3.02 WLOGP 2.89 MLOGP 2.59 ESOL Log S -2.52 ESOL Solubility (mg/ml) 0.506 ESOL Solubility (mol/l) 0.003 ESOL Class: esol_class Soluble Ali Log S -3.11 Ali Solubility (mg/ml) 0.13 Ali Solubility (mol/l) 0 Ali Class Soluble Silicos-IT LogSw -1.92 Silicos-IT Solubility (mg/ml) 2.04 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) -5.18 Bioavailability Score 0.55 Caco2 1 Human Intestinal Absorption 1 Plasm Protein Binding 1.093 CYP1A2 Inhibitor 0 CYP2C19 Inhibitor 0 CYP2C9 Inhibitor 0 CYP2D6 inhibitor 0 CYP3A4 inhibitor 0 Ames mutagenesis 0 Acute Oral Toxicity 2.957 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
