2-methoxy-6-propan-2-ylcyclohexan-1-ol

C10H20O2 — CID 140573404

IUPAC2-methoxy-6-propan-2-ylcyclohexan-1-ol
SMILESCOC1CCCC(C(C)C)C1O
InChIInChI=1S/C10H20O2/c1-7(2)8-5-4-6-9(12-3)10(8)11/h7-11H,4-6H2,1-3H3
InChIKeyLTPTVXVSABYTCI-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds2

About 2-methoxy-6-propan-2-ylcyclohexan-1-ol

2-methoxy-6-propan-2-ylcyclohexan-1-ol (PubChem CID 140573404) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methoxy-6-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-methoxy-6-propan-2-ylcyclohexan-1-ol
PubChem CID140573404
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methoxy-6-propan-2-ylcyclohexan-1-ol
SMILESCOC1CCCC(C(C)C)C1O
InChIInChI=1S/C10H20O2/c1-7(2)8-5-4-6-9(12-3)10(8)11/h7-11H,4-6H2,1-3H3
InChIKeyLTPTVXVSABYTCI-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-6-propan-2-ylcyclohexan-1-ol 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 2-methoxy-6-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-methoxy-6-propan-2-ylcyclohexan-1-ol (CID 140573404) is 2-methoxy-6-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-methoxy-6-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-methoxy-6-propan-2-ylcyclohexan-1-ol is COC1CCCC(C(C)C)C1O.
What is the InChIKey of 2-methoxy-6-propan-2-ylcyclohexan-1-ol?
The InChIKey is LTPTVXVSABYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)8-5-4-6-9(12-3)10(8)11/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-6-propan-2-ylcyclohexan-1-ol?
2-methoxy-6-propan-2-ylcyclohexan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 140573404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).