(6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol

C15H21Br2ClO — CID 15385253

IUPAC(6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol
SMILESCC1=CC=C(Br)C(C)(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O
InChIInChI=1S/C15H21Br2ClO/c1-9-5-6-10(16)13(2,3)15(9)7-11(17)14(4,18)8-12(15)19/h5-6,11-12,19H,7-8H2,1-4H3/t11-,12-,14-,15-/m0/s1
InChIKeyTUPUUXBXXLYXLR-JURCDPSOSA-N
MW412.59 g/mol
LogP5.15
Rot. Bonds

About (6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol

(6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol (PubChem CID 15385253) has the molecular formula C15H21Br2ClO and a molecular weight of 412.59 g/mol. Its IUPAC name is (6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol.

Molecular Properties

Compound Name(6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol
PubChem CID15385253
Molecular FormulaC15H21Br2ClO
Molecular Weight412.59 g/mol
Exact Mass409.96
IUPAC Name(6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol
SMILESCC1=CC=C(Br)C(C)(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O
InChIInChI=1S/C15H21Br2ClO/c1-9-5-6-10(16)13(2,3)15(9)7-11(17)14(4,18)8-12(15)19/h5-6,11-12,19H,7-8H2,1-4H3/t11-,12-,14-,15-/m0/s1
InChIKeyTUPUUXBXXLYXLR-JURCDPSOSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol?
The IUPAC name of (6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol (CID 15385253) is (6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol.
What is the SMILES notation for (6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol?
The canonical SMILES for (6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol is CC1=CC=C(Br)C(C)(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O.
What is the InChIKey of (6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol?
The InChIKey is TUPUUXBXXLYXLR-JURCDPSOSA-N. The full InChI is InChI=1S/C15H21Br2ClO/c1-9-5-6-10(16)13(2,3)15(9)7-11(17)14(4,18)8-12(15)19/h5-6,11-12,19H,7-8H2,1-4H3/t11-,12-,14-,15-/m0/s1.
What are the key properties of (6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol?
(6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol has a molecular weight of 412.59 g/mol, XLogP of 5.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S,9S,11S)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-dien-11-ol is sourced from PubChem (CID 15385253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).