6-methoxyhex-1-en-2-ylcyclohexane

C13H24O — CID 3022783

IUPAC6-methoxyhex-1-en-2-ylcyclohexane
SMILESC=C(CCCCOC)C1CCCCC1
InChIInChI=1S/C13H24O/c1-12(8-6-7-11-14-2)13-9-4-3-5-10-13/h13H,1,3-11H2,2H3
InChIKeyAGBZDYNQIZQHHY-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.94
Rot. Bonds6

About 6-methoxyhex-1-en-2-ylcyclohexane

6-methoxyhex-1-en-2-ylcyclohexane (PubChem CID 3022783) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 6-methoxyhex-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name6-methoxyhex-1-en-2-ylcyclohexane
PubChem CID3022783
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name6-methoxyhex-1-en-2-ylcyclohexane
SMILESC=C(CCCCOC)C1CCCCC1
InChIInChI=1S/C13H24O/c1-12(8-6-7-11-14-2)13-9-4-3-5-10-13/h13H,1,3-11H2,2H3
InChIKeyAGBZDYNQIZQHHY-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methoxyhex-1-en-2-ylcyclohexane 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 6-methoxyhex-1-en-2-ylcyclohexane?
The IUPAC name of 6-methoxyhex-1-en-2-ylcyclohexane (CID 3022783) is 6-methoxyhex-1-en-2-ylcyclohexane.
What is the SMILES notation for 6-methoxyhex-1-en-2-ylcyclohexane?
The canonical SMILES for 6-methoxyhex-1-en-2-ylcyclohexane is C=C(CCCCOC)C1CCCCC1.
What is the InChIKey of 6-methoxyhex-1-en-2-ylcyclohexane?
The InChIKey is AGBZDYNQIZQHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-12(8-6-7-11-14-2)13-9-4-3-5-10-13/h13H,1,3-11H2,2H3.
What are the key properties of 6-methoxyhex-1-en-2-ylcyclohexane?
6-methoxyhex-1-en-2-ylcyclohexane has a molecular weight of 196.33 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhex-1-en-2-ylcyclohexane is sourced from PubChem (CID 3022783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).