1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol

C14H26O2 — CID 103448421

IUPAC1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol
SMILESCCC1CCC(C(O)C2(O)CCCC2)CC1
InChIInChI=1S/C14H26O2/c1-2-11-5-7-12(8-6-11)13(15)14(16)9-3-4-10-14/h11-13,15-16H,2-10H2,1H3
InChIKeyUOIIBDWMOOCWAN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.87
Rot. Bonds3

About 1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol

1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol (PubChem CID 103448421) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol
PubChem CID103448421
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol
SMILESCCC1CCC(C(O)C2(O)CCCC2)CC1
InChIInChI=1S/C14H26O2/c1-2-11-5-7-12(8-6-11)13(15)14(16)9-3-4-10-14/h11-13,15-16H,2-10H2,1H3
InChIKeyUOIIBDWMOOCWAN-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol (CID 103448421) is 1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol is CCC1CCC(C(O)C2(O)CCCC2)CC1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol?
The InChIKey is UOIIBDWMOOCWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-11-5-7-12(8-6-11)13(15)14(16)9-3-4-10-14/h11-13,15-16H,2-10H2,1H3.
What are the key properties of 1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol?
1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 103448421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).