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

C15H21Br2Cl — CID 163191762

IUPAC(6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene
SMILESCC1=CC=C(Br)C(C)(C)[C@]12CCC(C)(Cl)C(Br)C2
InChIInChI=1S/C15H21Br2Cl/c1-10-5-6-11(16)13(2,3)15(10)8-7-14(4,18)12(17)9-15/h5-6,12H,7-9H2,1-4H3/t12?,14?,15-/m0/s1
InChIKeyPHHUSFCHCZLGNG-ZALBZXLWSA-N
MW396.59 g/mol
LogP6.18
Rot. Bonds

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

(6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene (PubChem CID 163191762) has the molecular formula C15H21Br2Cl and a molecular weight of 396.59 g/mol. Its IUPAC name is (6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene.

Molecular Properties

Compound Name(6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene
PubChem CID163191762
Molecular FormulaC15H21Br2Cl
Molecular Weight396.59 g/mol
Exact Mass393.97
IUPAC Name(6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene
SMILESCC1=CC=C(Br)C(C)(C)[C@]12CCC(C)(Cl)C(Br)C2
InChIInChI=1S/C15H21Br2Cl/c1-10-5-6-11(16)13(2,3)15(10)8-7-14(4,18)12(17)9-15/h5-6,12H,7-9H2,1-4H3/t12?,14?,15-/m0/s1
InChIKeyPHHUSFCHCZLGNG-ZALBZXLWSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.59
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene?
The IUPAC name of (6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene (CID 163191762) is (6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene.
What is the SMILES notation for (6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene?
The canonical SMILES for (6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene is CC1=CC=C(Br)C(C)(C)[C@]12CCC(C)(Cl)C(Br)C2.
What is the InChIKey of (6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene?
The InChIKey is PHHUSFCHCZLGNG-ZALBZXLWSA-N. The full InChI is InChI=1S/C15H21Br2Cl/c1-10-5-6-11(16)13(2,3)15(10)8-7-14(4,18)12(17)9-15/h5-6,12H,7-9H2,1-4H3/t12?,14?,15-/m0/s1.
What are the key properties of (6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene?
(6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene has a molecular weight of 396.59 g/mol, XLogP of 6.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene is sourced from PubChem (CID 163191762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).