(E)-1-bromo-4,4-dimethylpent-2-ene

C7H13Br — CID 638973

IUPAC(E)-1-bromo-4,4-dimethylpent-2-ene
SMILESCC(C)(C)/C=C/CBr
InChIInChI=1S/C7H13Br/c1-7(2,3)5-4-6-8/h4-5H,6H2,1-3H3/b5-4+
InChIKeyINKPIDICTIUUHE-SNAWJCMRSA-N
MW177.08 g/mol
LogP2.98
Rot. Bonds1

About (E)-1-bromo-4,4-dimethylpent-2-ene

(E)-1-bromo-4,4-dimethylpent-2-ene (PubChem CID 638973) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is (E)-1-bromo-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name(E)-1-bromo-4,4-dimethylpent-2-ene
PubChem CID638973
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name(E)-1-bromo-4,4-dimethylpent-2-ene
SMILESCC(C)(C)/C=C/CBr
InChIInChI=1S/C7H13Br/c1-7(2,3)5-4-6-8/h4-5H,6H2,1-3H3/b5-4+
InChIKeyINKPIDICTIUUHE-SNAWJCMRSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 52.98
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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Related Compounds

5-Bromo-2-methyl-2-pentene
CID 137521
1-Bromo-2-pentene, predominantly trans
CID 5463000
5-Bromopent-2-ene
CID 11073580
3-Hexene, 1-bromo-, (3Z)-
CID 6436340
(2Z)-1-bromopent-2-ene
CID 6110173
1-Bromo-2-hexene
CID 10374753
1-Bromo-3-hexene
CID 6537741
(E)-4-bromopent-2-ene
CID 5362822
1-Bromo-4-methylhex-3-ene
CID 53395414
1-Bromohex-3-ene
CID 78709
1-Bromo-3-heptene
CID 3023479
(z)-4-Bromo-2-pentene
CID 21765830

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-4,4-dimethylpent-2-ene?
The IUPAC name of (E)-1-bromo-4,4-dimethylpent-2-ene (CID 638973) is (E)-1-bromo-4,4-dimethylpent-2-ene.
What is the SMILES notation for (E)-1-bromo-4,4-dimethylpent-2-ene?
The canonical SMILES for (E)-1-bromo-4,4-dimethylpent-2-ene is CC(C)(C)/C=C/CBr.
What is the InChIKey of (E)-1-bromo-4,4-dimethylpent-2-ene?
The InChIKey is INKPIDICTIUUHE-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13Br/c1-7(2,3)5-4-6-8/h4-5H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-1-bromo-4,4-dimethylpent-2-ene?
(E)-1-bromo-4,4-dimethylpent-2-ene has a molecular weight of 177.08 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-4,4-dimethylpent-2-ene is sourced from PubChem (CID 638973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).