(4-ethylcyclohexyl)-methoxymethanol

C10H20O2 — CID 89033232

IUPAC(4-ethylcyclohexyl)-methoxymethanol
SMILESCCC1CCC(C(O)OC)CC1
InChIInChI=1S/C10H20O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h8-11H,3-7H2,1-2H3
InChIKeyPUSYAUYRWZWTOZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.17
Rot. Bonds3

About (4-ethylcyclohexyl)-methoxymethanol

(4-ethylcyclohexyl)-methoxymethanol (PubChem CID 89033232) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-methoxymethanol.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-methoxymethanol
PubChem CID89033232
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(4-ethylcyclohexyl)-methoxymethanol
SMILESCCC1CCC(C(O)OC)CC1
InChIInChI=1S/C10H20O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h8-11H,3-7H2,1-2H3
InChIKeyPUSYAUYRWZWTOZ-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4-ethylcyclohexyl)-methoxymethanol 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 (4-ethylcyclohexyl)-methoxymethanol?
The IUPAC name of (4-ethylcyclohexyl)-methoxymethanol (CID 89033232) is (4-ethylcyclohexyl)-methoxymethanol.
What is the SMILES notation for (4-ethylcyclohexyl)-methoxymethanol?
The canonical SMILES for (4-ethylcyclohexyl)-methoxymethanol is CCC1CCC(C(O)OC)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-methoxymethanol?
The InChIKey is PUSYAUYRWZWTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h8-11H,3-7H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl)-methoxymethanol?
(4-ethylcyclohexyl)-methoxymethanol has a molecular weight of 172.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-methoxymethanol is sourced from PubChem (CID 89033232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).