(3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol

C15H22Br2O — CID 102482901

IUPAC(3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol
SMILESCC1=C[C@H](O)[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Br)C2
InChIInChI=1S/C15H22Br2O/c1-9-5-6-15(8-11(9)16)10(2)7-12(18)13(17)14(15,3)4/h7,12-13,18H,5-6,8H2,1-4H3/t12-,13+,15-/m0/s1
InChIKeyQRVGGXHFBGZNEV-GUTXKFCHSA-N
MW378.15 g/mol
LogP4.94
Rot. Bonds

About (3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol

(3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol (PubChem CID 102482901) has the molecular formula C15H22Br2O and a molecular weight of 378.15 g/mol. Its IUPAC name is (3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol.

Molecular Properties

Compound Name(3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol
PubChem CID102482901
Molecular FormulaC15H22Br2O
Molecular Weight378.15 g/mol
Exact Mass376.00
IUPAC Name(3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol
SMILESCC1=C[C@H](O)[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Br)C2
InChIInChI=1S/C15H22Br2O/c1-9-5-6-15(8-11(9)16)10(2)7-12(18)13(17)14(15,3)4/h7,12-13,18H,5-6,8H2,1-4H3/t12-,13+,15-/m0/s1
InChIKeyQRVGGXHFBGZNEV-GUTXKFCHSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.15
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-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 (3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol?
The IUPAC name of (3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol (CID 102482901) is (3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol.
What is the SMILES notation for (3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol?
The canonical SMILES for (3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol is CC1=C[C@H](O)[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Br)C2.
What is the InChIKey of (3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol?
The InChIKey is QRVGGXHFBGZNEV-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H22Br2O/c1-9-5-6-15(8-11(9)16)10(2)7-12(18)13(17)14(15,3)4/h7,12-13,18H,5-6,8H2,1-4H3/t12-,13+,15-/m0/s1.
What are the key properties of (3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol?
(3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol has a molecular weight of 378.15 g/mol, XLogP of 4.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol is sourced from PubChem (CID 102482901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).