3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol

C18H36O — CID 65425475

IUPAC3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
SMILESCCCCC(CC)CC(O)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H36O/c1-5-7-8-15(6-2)13-18(19)17-11-9-16(10-12-17)14(3)4/h14-19H,5-13H2,1-4H3
InChIKeyHWKHLMJDEMJRJD-UHFFFAOYSA-N
MW268.48 g/mol
LogP5.42
Rot. Bonds8

About 3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol

3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol (PubChem CID 65425475) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
PubChem CID65425475
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
SMILESCCCCC(CC)CC(O)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H36O/c1-5-7-8-15(6-2)13-18(19)17-11-9-16(10-12-17)14(3)4/h14-19H,5-13H2,1-4H3
InChIKeyHWKHLMJDEMJRJD-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol 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

3-ethyl-1-(4-methylcyclohexyl)heptan-1-ol
CID 63410678
1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
CID 114981328
3-ethyl-1-(thiolan-3-yl)heptan-1-ol
CID 105080644
1-cyclopropylheptane-1,3-diol
CID 174466446
1-cyclopropylpentan-1-ol
CID 551238
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
5-ethylnonane-2,3-diol
CID 87935287
2-cyclopropyl-5-ethylnonan-3-one
CID 114963721
2-cyclopropyl-N,5-diethylnonan-3-amine
CID 115806059
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol?
The IUPAC name of 3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol (CID 65425475) is 3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol.
What is the SMILES notation for 3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol?
The canonical SMILES for 3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol is CCCCC(CC)CC(O)C1CCC(C(C)C)CC1.
What is the InChIKey of 3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol?
The InChIKey is HWKHLMJDEMJRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-5-7-8-15(6-2)13-18(19)17-11-9-16(10-12-17)14(3)4/h14-19H,5-13H2,1-4H3.
What are the key properties of 3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol?
3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol has a molecular weight of 268.48 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol is sourced from PubChem (CID 65425475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).