(1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol

C10H18O — CID 21116256

IUPAC(1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)C1=C[C@@H](O)[C@H](C)CC1
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8,10-11H,4-5H2,1-3H3/t8-,10-/m1/s1
InChIKeyWEJSIMPWEOUMJB-PSASIEDQSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

About (1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol

(1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 21116256) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol
PubChem CID21116256
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)C1=C[C@@H](O)[C@H](C)CC1
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8,10-11H,4-5H2,1-3H3/t8-,10-/m1/s1
InChIKeyWEJSIMPWEOUMJB-PSASIEDQSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-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 (1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol (CID 21116256) is (1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol is CC(C)C1=C[C@@H](O)[C@H](C)CC1.
What is the InChIKey of (1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is WEJSIMPWEOUMJB-PSASIEDQSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8,10-11H,4-5H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of (1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol?
(1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 21116256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).