(1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol

C15H26O — CID 11042316

IUPAC(1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol
SMILESC=C1[C@@H]2CC[C@@](O)([C@H]2CCCCC)C1(C)C
InChIInChI=1S/C15H26O/c1-5-6-7-8-13-12-9-10-15(13,16)14(3,4)11(12)2/h12-13,16H,2,5-10H2,1,3-4H3/t12-,13-,15+/m0/s1
InChIKeySCFQKGQRPQBDFV-KCQAQPDRSA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds4

About (1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol

(1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol (PubChem CID 11042316) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol.

Molecular Properties

Compound Name(1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol
PubChem CID11042316
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol
SMILESC=C1[C@@H]2CC[C@@](O)([C@H]2CCCCC)C1(C)C
InChIInChI=1S/C15H26O/c1-5-6-7-8-13-12-9-10-15(13,16)14(3,4)11(12)2/h12-13,16H,2,5-10H2,1,3-4H3/t12-,13-,15+/m0/s1
InChIKeySCFQKGQRPQBDFV-KCQAQPDRSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
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 (1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-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 (1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol?
The IUPAC name of (1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol (CID 11042316) is (1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol.
What is the SMILES notation for (1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol?
The canonical SMILES for (1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol is C=C1[C@@H]2CC[C@@](O)([C@H]2CCCCC)C1(C)C.
What is the InChIKey of (1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol?
The InChIKey is SCFQKGQRPQBDFV-KCQAQPDRSA-N. The full InChI is InChI=1S/C15H26O/c1-5-6-7-8-13-12-9-10-15(13,16)14(3,4)11(12)2/h12-13,16H,2,5-10H2,1,3-4H3/t12-,13-,15+/m0/s1.
What are the key properties of (1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol?
(1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7S)-2,2-dimethyl-3-methylidene-7-pentylbicyclo[2.2.1]heptan-1-ol is sourced from PubChem (CID 11042316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).