1,5-dibromo-2,3-dimethylpentane

C7H14Br2 — CID 21200747

IUPAC1,5-dibromo-2,3-dimethylpentane
SMILESCC(CBr)C(C)CCBr
InChIInChI=1S/C7H14Br2/c1-6(3-4-8)7(2)5-9/h6-7H,3-5H2,1-2H3
InChIKeySINFEIHKTHSHFX-UHFFFAOYSA-N
MW258.00 g/mol
LogP3.44
Rot. Bonds4

About 1,5-dibromo-2,3-dimethylpentane

1,5-dibromo-2,3-dimethylpentane (PubChem CID 21200747) has the molecular formula C7H14Br2 and a molecular weight of 258.00 g/mol. Its IUPAC name is 1,5-dibromo-2,3-dimethylpentane.

Molecular Properties

Compound Name1,5-dibromo-2,3-dimethylpentane
PubChem CID21200747
Molecular FormulaC7H14Br2
Molecular Weight258.00 g/mol
Exact Mass255.95
IUPAC Name1,5-dibromo-2,3-dimethylpentane
SMILESCC(CBr)C(C)CCBr
InChIInChI=1S/C7H14Br2/c1-6(3-4-8)7(2)5-9/h6-7H,3-5H2,1-2H3
InChIKeySINFEIHKTHSHFX-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.00
LogP ≤ 53.44
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

2-bromoethyl(trimethyl)phosphanium
CID 22909796
1,7-dibromo-3,5-dimethylheptane
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2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide
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(3S)-1,3-dibromo-4-methylpentane
CID 129433792
1-bromo-3,5-dimethylhexane
CID 10867183
(2R)-1,5-dibromo-2-methylpentane
CID 10243526
1,3-dibromobutane;1,3-dibromopropane
CID 160634915
(3R)-5-bromo-3-methylpentan-1-ol
CID 139766878
1,8-dibromo-2,7-dimethyloctane
CID 170903621
4-bromo-1-methoxy-2-methylbutane
CID 115625046
4-bromo-N-ethylbutan-2-amine
CID 83179522
1-bromo-2-chloropropane;2-chloropropane
CID 174371360

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,3-dimethylpentane?
The IUPAC name of 1,5-dibromo-2,3-dimethylpentane (CID 21200747) is 1,5-dibromo-2,3-dimethylpentane.
What is the SMILES notation for 1,5-dibromo-2,3-dimethylpentane?
The canonical SMILES for 1,5-dibromo-2,3-dimethylpentane is CC(CBr)C(C)CCBr.
What is the InChIKey of 1,5-dibromo-2,3-dimethylpentane?
The InChIKey is SINFEIHKTHSHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Br2/c1-6(3-4-8)7(2)5-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,5-dibromo-2,3-dimethylpentane?
1,5-dibromo-2,3-dimethylpentane has a molecular weight of 258.00 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,3-dimethylpentane is sourced from PubChem (CID 21200747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).