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

C15H22Br2 — CID 163110438

IUPAC(4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene
SMILESCC1=CC[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Br)C2
InChIInChI=1S/C15H22Br2/c1-10-7-8-15(9-12(10)16)11(2)5-6-13(17)14(15,3)4/h5,13H,6-9H2,1-4H3/t13-,15+/m1/s1
InChIKeyKITUCYHXYPLPSR-HIFRSBDPSA-N
MW362.15 g/mol
LogP5.97
Rot. Bonds

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

(4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene (PubChem CID 163110438) has the molecular formula C15H22Br2 and a molecular weight of 362.15 g/mol. Its IUPAC name is (4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene.

Molecular Properties

Compound Name(4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene
PubChem CID163110438
Molecular FormulaC15H22Br2
Molecular Weight362.15 g/mol
Exact Mass360.01
IUPAC Name(4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene
SMILESCC1=CC[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Br)C2
InChIInChI=1S/C15H22Br2/c1-10-7-8-15(9-12(10)16)11(2)5-6-13(17)14(15,3)4/h5,13H,6-9H2,1-4H3/t13-,15+/m1/s1
InChIKeyKITUCYHXYPLPSR-HIFRSBDPSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.15
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene?
The IUPAC name of (4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene (CID 163110438) is (4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene.
What is the SMILES notation for (4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene?
The canonical SMILES for (4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene is CC1=CC[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Br)C2.
What is the InChIKey of (4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene?
The InChIKey is KITUCYHXYPLPSR-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H22Br2/c1-10-7-8-15(9-12(10)16)11(2)5-6-13(17)14(15,3)4/h5,13H,6-9H2,1-4H3/t13-,15+/m1/s1.
What are the key properties of (4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene?
(4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene has a molecular weight of 362.15 g/mol, XLogP of 5.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene is sourced from PubChem (CID 163110438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).