2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol

C11H20O2 — CID 139627974

IUPAC2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol
SMILESCCC1CCC(C(=CO)CO)CC1
InChIInChI=1S/C11H20O2/c1-2-9-3-5-10(6-4-9)11(7-12)8-13/h7,9-10,12-13H,2-6,8H2,1H3
InChIKeyCECIVUKGNJJNIT-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol

2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol (PubChem CID 139627974) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol
PubChem CID139627974
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol
SMILESCCC1CCC(C(=CO)CO)CC1
InChIInChI=1S/C11H20O2/c1-2-9-3-5-10(6-4-9)11(7-12)8-13/h7,9-10,12-13H,2-6,8H2,1H3
InChIKeyCECIVUKGNJJNIT-UHFFFAOYSA-N
XLogP2.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol 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

ethenol;ethylcyclopropane
CID 18331953
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
4-ethylcyclohexan-1-ol;formic acid
CID 175472240
2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one
CID 116560204
2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one
CID 103447479
(E)-1-(4-ethylcyclohexyl)pent-2-en-1-one
CID 103454295
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
acetic acid;ethylcyclopropane
CID 175213909
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol?
The IUPAC name of 2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol (CID 139627974) is 2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol.
What is the SMILES notation for 2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol?
The canonical SMILES for 2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol is CCC1CCC(C(=CO)CO)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol?
The InChIKey is CECIVUKGNJJNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-9-3-5-10(6-4-9)11(7-12)8-13/h7,9-10,12-13H,2-6,8H2,1H3.
What are the key properties of 2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol?
2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol has a molecular weight of 184.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol is sourced from PubChem (CID 139627974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).