(1-cyclohexylcyclohexyl) formate

C13H22O2 — CID 18360052

IUPAC(1-cyclohexylcyclohexyl) formate
SMILESO=COC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C13H22O2/c14-11-15-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h11-12H,1-10H2
InChIKeyAZMSSAOXIKHYEZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.44
Rot. Bonds3

About (1-cyclohexylcyclohexyl) formate

(1-cyclohexylcyclohexyl) formate (PubChem CID 18360052) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1-cyclohexylcyclohexyl) formate.

Molecular Properties

Compound Name(1-cyclohexylcyclohexyl) formate
PubChem CID18360052
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1-cyclohexylcyclohexyl) formate
SMILESO=COC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C13H22O2/c14-11-15-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h11-12H,1-10H2
InChIKeyAZMSSAOXIKHYEZ-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (1-cyclohexylcyclohexyl) formate 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-cycloheptylcycloheptyl) formate
CID 18360055
(1-methoxycyclohexyl)cyclononane
CID 70179360
(1-cyclohexylcyclopentyl) acetate
CID 12039389
1-cyclohexylcyclohexane-1-carbaldehyde
CID 21479214
1-cycloheptyl-1-phenoxycycloheptane
CID 174805076
(1-cyclohexylcyclohexyl) benzoate
CID 54286012
1-cyclopentyl-1-(1-cyclopentylcyclobutyl)cyclohexane
CID 175602198
(1-cyclopentylcyclohexyl) 4-methylperoxybut-2-enoate
CID 72611564
1-ethoxybicyclo[10.1.0]tridecane
CID 154110609
1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443098
(1-cyclobutylcyclopentyl) acetate
CID 177097462
(1-cyclohexylcyclopropyl) acetate
CID 91131251

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylcyclohexyl) formate?
The IUPAC name of (1-cyclohexylcyclohexyl) formate (CID 18360052) is (1-cyclohexylcyclohexyl) formate.
What is the SMILES notation for (1-cyclohexylcyclohexyl) formate?
The canonical SMILES for (1-cyclohexylcyclohexyl) formate is O=COC1(C2CCCCC2)CCCCC1.
What is the InChIKey of (1-cyclohexylcyclohexyl) formate?
The InChIKey is AZMSSAOXIKHYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-11-15-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h11-12H,1-10H2.
What are the key properties of (1-cyclohexylcyclohexyl) formate?
(1-cyclohexylcyclohexyl) formate has a molecular weight of 210.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylcyclohexyl) formate is sourced from PubChem (CID 18360052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).