1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol

C14H28OS — CID 65135104

IUPAC1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol
SMILESCCC1CCC(C(O)CSCC(C)C)CC1
InChIInChI=1S/C14H28OS/c1-4-12-5-7-13(8-6-12)14(15)10-16-9-11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyRIKSHLNPZOEGDF-UHFFFAOYSA-N
MW244.44 g/mol
LogP3.95
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol

1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol (PubChem CID 65135104) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol
PubChem CID65135104
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol
SMILESCCC1CCC(C(O)CSCC(C)C)CC1
InChIInChI=1S/C14H28OS/c1-4-12-5-7-13(8-6-12)14(15)10-16-9-11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyRIKSHLNPZOEGDF-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol
CID 79566774
2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol
CID 65131092
1-cycloheptyl-2-ethylsulfanylethanol
CID 82931500
(1S)-1-cyclopropyl-2-methylsulfanylethanol
CID 89329968
2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
CID 112743634
1-(4-ethylcyclohexyl)-4,4-dimethylpentan-1-ol
CID 65394345
1-(4-ethylcyclohexyl)-2-methylsulfonylethanol
CID 115643076
4-chloro-1-(4-ethylcyclohexyl)butan-1-ol
CID 66044448
1-(4-ethylcyclohexyl)pent-4-en-1-ol
CID 65392687
3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol
CID 105103746
1-(4-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105103646
methyl 3-(4-ethylcyclohexyl)-3-hydroxypropanoate
CID 148778658

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol (CID 65135104) is 1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol is CCC1CCC(C(O)CSCC(C)C)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol?
The InChIKey is RIKSHLNPZOEGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OS/c1-4-12-5-7-13(8-6-12)14(15)10-16-9-11(2)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol?
1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol has a molecular weight of 244.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol is sourced from PubChem (CID 65135104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).