(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol

C15H21BrO — CID 134835095

IUPAC(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol
SMILESCC1=CC(O)CC(C)(C)[C@@]12C=CC(=CBr)CC2
InChIInChI=1S/C15H21BrO/c1-11-8-13(17)9-14(2,3)15(11)6-4-12(10-16)5-7-15/h4,6,8,10,13,17H,5,7,9H2,1-3H3/t13?,15-/m1/s1
InChIKeySRTATSIVYAJWEW-AWKYBWMHSA-N
MW297.24 g/mol
LogP4.34
Rot. Bonds

About (6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol

(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol (PubChem CID 134835095) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is (6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol.

Molecular Properties

Compound Name(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol
PubChem CID134835095
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol
SMILESCC1=CC(O)CC(C)(C)[C@@]12C=CC(=CBr)CC2
InChIInChI=1S/C15H21BrO/c1-11-8-13(17)9-14(2,3)15(11)6-4-12(10-16)5-7-15/h4,6,8,10,13,17H,5,7,9H2,1-3H3/t13?,15-/m1/s1
InChIKeySRTATSIVYAJWEW-AWKYBWMHSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-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 (6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol?
The IUPAC name of (6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol (CID 134835095) is (6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol.
What is the SMILES notation for (6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol?
The canonical SMILES for (6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol is CC1=CC(O)CC(C)(C)[C@@]12C=CC(=CBr)CC2.
What is the InChIKey of (6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol?
The InChIKey is SRTATSIVYAJWEW-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H21BrO/c1-11-8-13(17)9-14(2,3)15(11)6-4-12(10-16)5-7-15/h4,6,8,10,13,17H,5,7,9H2,1-3H3/t13?,15-/m1/s1.
What are the key properties of (6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol?
(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol has a molecular weight of 297.24 g/mol, XLogP of 4.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol is sourced from PubChem (CID 134835095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).