1,1-dimethoxy-4-pentylcyclohexane

C13H26O2 — CID 139777149

IUPAC1,1-dimethoxy-4-pentylcyclohexane
SMILESCCCCCC1CCC(OC)(OC)CC1
InChIInChI=1S/C13H26O2/c1-4-5-6-7-12-8-10-13(14-2,15-3)11-9-12/h12H,4-11H2,1-3H3
InChIKeyIUEUPAOVJNFHTE-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.75
Rot. Bonds6

About 1,1-dimethoxy-4-pentylcyclohexane

1,1-dimethoxy-4-pentylcyclohexane (PubChem CID 139777149) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,1-dimethoxy-4-pentylcyclohexane.

Molecular Properties

Compound Name1,1-dimethoxy-4-pentylcyclohexane
PubChem CID139777149
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1,1-dimethoxy-4-pentylcyclohexane
SMILESCCCCCC1CCC(OC)(OC)CC1
InChIInChI=1S/C13H26O2/c1-4-5-6-7-12-8-10-13(14-2,15-3)11-9-12/h12H,4-11H2,1-3H3
InChIKeyIUEUPAOVJNFHTE-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-dimethoxy-4-pentylcyclohexane 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 1,1-dimethoxy-4-pentylcyclohexane?
The IUPAC name of 1,1-dimethoxy-4-pentylcyclohexane (CID 139777149) is 1,1-dimethoxy-4-pentylcyclohexane.
What is the SMILES notation for 1,1-dimethoxy-4-pentylcyclohexane?
The canonical SMILES for 1,1-dimethoxy-4-pentylcyclohexane is CCCCCC1CCC(OC)(OC)CC1.
What is the InChIKey of 1,1-dimethoxy-4-pentylcyclohexane?
The InChIKey is IUEUPAOVJNFHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-5-6-7-12-8-10-13(14-2,15-3)11-9-12/h12H,4-11H2,1-3H3.
What are the key properties of 1,1-dimethoxy-4-pentylcyclohexane?
1,1-dimethoxy-4-pentylcyclohexane has a molecular weight of 214.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-4-pentylcyclohexane is sourced from PubChem (CID 139777149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).