4-bromohept-3-ene

C7H13Br — CID 53439897

IUPAC4-bromohept-3-ene
SMILESCCC=C(Br)CCC
InChIInChI=1S/C7H13Br/c1-3-5-7(8)6-4-2/h5H,3-4,6H2,1-2H3
InChIKeyJPXRORCYYOAWOA-UHFFFAOYSA-N
MW177.08 g/mol
LogP3.48
Rot. Bonds3

About 4-bromohept-3-ene

4-bromohept-3-ene (PubChem CID 53439897) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is 4-bromohept-3-ene.

Molecular Properties

Compound Name4-bromohept-3-ene
PubChem CID53439897
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name4-bromohept-3-ene
SMILESCCC=C(Br)CCC
InChIInChI=1S/C7H13Br/c1-3-5-7(8)6-4-2/h5H,3-4,6H2,1-2H3
InChIKeyJPXRORCYYOAWOA-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Bromocyclohex-1-ene
CID 519775
5-Bromopent-2-ene
CID 11073580
3-Hexene, 1-bromo-, (3Z)-
CID 6436340
2-Pentene, 3-bromo-
CID 6445110
1-Bromo-2-hexene
CID 10374753
1-Bromo-3-hexene
CID 6537741
(E)-4-bromopent-2-ene
CID 5362822
1-Bromocyclopent-1-ene
CID 10964660
1-Bromohex-3-ene
CID 78709
6-Bromo-2-methylhex-2-ene
CID 13638116
1-Bromo-3-heptene
CID 3023479
(z)-2-Bromo-2-pentene
CID 10866503

Frequently Asked Questions

What is the IUPAC name of 4-bromohept-3-ene?
The IUPAC name of 4-bromohept-3-ene (CID 53439897) is 4-bromohept-3-ene.
What is the SMILES notation for 4-bromohept-3-ene?
The canonical SMILES for 4-bromohept-3-ene is CCC=C(Br)CCC.
What is the InChIKey of 4-bromohept-3-ene?
The InChIKey is JPXRORCYYOAWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c1-3-5-7(8)6-4-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-bromohept-3-ene?
4-bromohept-3-ene has a molecular weight of 177.08 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromohept-3-ene is sourced from PubChem (CID 53439897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).