(1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol

C11H18O — CID 124637804

IUPAC(1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol
SMILESC=C(C)[C@@H]1C[C@@H]2C[C@]2(C)[C@H](O)C1
InChIInChI=1S/C11H18O/c1-7(2)8-4-9-6-11(9,3)10(12)5-8/h8-10,12H,1,4-6H2,2-3H3/t8-,9-,10-,11+/m1/s1
InChIKeyVJCJFHXSPMGNOA-DBIOUOCHSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds1

About (1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol

(1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol (PubChem CID 124637804) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol
PubChem CID124637804
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol
SMILESC=C(C)[C@@H]1C[C@@H]2C[C@]2(C)[C@H](O)C1
InChIInChI=1S/C11H18O/c1-7(2)8-4-9-6-11(9,3)10(12)5-8/h8-10,12H,1,4-6H2,2-3H3/t8-,9-,10-,11+/m1/s1
InChIKeyVJCJFHXSPMGNOA-DBIOUOCHSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
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,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-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,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol (CID 124637804) is (1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol is C=C(C)[C@@H]1C[C@@H]2C[C@]2(C)[C@H](O)C1.
What is the InChIKey of (1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol?
The InChIKey is VJCJFHXSPMGNOA-DBIOUOCHSA-N. The full InChI is InChI=1S/C11H18O/c1-7(2)8-4-9-6-11(9,3)10(12)5-8/h8-10,12H,1,4-6H2,2-3H3/t8-,9-,10-,11+/m1/s1.
What are the key properties of (1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol?
(1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol has a molecular weight of 166.26 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,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 124637804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).