1-methoxy-4-propan-2-ylcyclohexane

C10H20O — CID 23594959

IUPAC1-methoxy-4-propan-2-ylcyclohexane
SMILESCOC1CCC(C(C)C)CC1
InChIInChI=1S/C10H20O/c1-8(2)9-4-6-10(11-3)7-5-9/h8-10H,4-7H2,1-3H3
InChIKeyVYOMKQBPPSPKOD-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds2

About 1-methoxy-4-propan-2-ylcyclohexane

1-methoxy-4-propan-2-ylcyclohexane (PubChem CID 23594959) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-methoxy-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-methoxy-4-propan-2-ylcyclohexane
PubChem CID23594959
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-methoxy-4-propan-2-ylcyclohexane
SMILESCOC1CCC(C(C)C)CC1
InChIInChI=1S/C10H20O/c1-8(2)9-4-6-10(11-3)7-5-9/h8-10H,4-7H2,1-3H3
InChIKeyVYOMKQBPPSPKOD-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-4-propan-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 1-methoxy-4-propan-2-ylcyclohexane?
The IUPAC name of 1-methoxy-4-propan-2-ylcyclohexane (CID 23594959) is 1-methoxy-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-methoxy-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-methoxy-4-propan-2-ylcyclohexane is COC1CCC(C(C)C)CC1.
What is the InChIKey of 1-methoxy-4-propan-2-ylcyclohexane?
The InChIKey is VYOMKQBPPSPKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)9-4-6-10(11-3)7-5-9/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-4-propan-2-ylcyclohexane?
1-methoxy-4-propan-2-ylcyclohexane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-propan-2-ylcyclohexane is sourced from PubChem (CID 23594959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).