CID 134889286

C15H20Br2 — CID 134889286

IUPAC—
SMILESBrC1(Br)C2([C@@H]3CCCC[C@@H]32)C12[C@@H]1CCCC[C@@H]12
InChIInChI=1S/C15H20Br2/c16-15(17)13(9-5-1-2-6-10(9)13)14(15)11-7-3-4-8-12(11)14/h9-12H,1-8H2/t9-,10+,11-,12+,13?,14?
InChIKeyFOQXTCDQKJSNHN-QHMRNEKISA-N
MW360.13 g/mol
LogP5.10
Rot. Bonds

About CID 134889286

CID 134889286 (PubChem CID 134889286) has the molecular formula C15H20Br2 and a molecular weight of 360.13 g/mol.

Molecular Properties

Compound NameCID 134889286
PubChem CID134889286
Molecular FormulaC15H20Br2
Molecular Weight360.13 g/mol
Exact Mass357.99
IUPAC Name—
SMILESBrC1(Br)C2([C@@H]3CCCC[C@@H]32)C12[C@@H]1CCCC[C@@H]12
InChIInChI=1S/C15H20Br2/c16-15(17)13(9-5-1-2-6-10(9)13)14(15)11-7-3-4-8-12(11)14/h9-12H,1-8H2/t9-,10+,11-,12+,13?,14?
InChIKeyFOQXTCDQKJSNHN-QHMRNEKISA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.13
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane
CID 1220422
1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane]
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CID 7036761
6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine
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dicyclopropylmethylcyclopentane
CID 56984657
di(cyclohexadecyl)methylcyclohexadecane
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1,2-dibromo-1-methylcyclooctane
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1-(dibromomethyl)tricyclo[4.2.0.02,7]octane
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Frequently Asked Questions

What is the IUPAC name of CID 134889286?
The IUPAC name of CID 134889286 (CID 134889286) is not available.
What is the SMILES notation for CID 134889286?
The canonical SMILES for CID 134889286 is BrC1(Br)C2([C@@H]3CCCC[C@@H]32)C12[C@@H]1CCCC[C@@H]12.
What is the InChIKey of CID 134889286?
The InChIKey is FOQXTCDQKJSNHN-QHMRNEKISA-N. The full InChI is InChI=1S/C15H20Br2/c16-15(17)13(9-5-1-2-6-10(9)13)14(15)11-7-3-4-8-12(11)14/h9-12H,1-8H2/t9-,10+,11-,12+,13?,14?.
What are the key properties of CID 134889286?
CID 134889286 has a molecular weight of 360.13 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134889286 is sourced from PubChem (CID 134889286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).