(E)-4-bromo-5-methylhept-3-ene

C8H15Br — CID 171365996

IUPAC(E)-4-bromo-5-methylhept-3-ene
SMILESCC/C=C(/Br)C(C)CC
InChIInChI=1S/C8H15Br/c1-4-6-8(9)7(3)5-2/h6-7H,4-5H2,1-3H3/b8-6+
InChIKeyPJSZYCMVNCZXPQ-SOFGYWHQSA-N
MW191.11 g/mol
LogP3.72
Rot. Bonds3

About (E)-4-bromo-5-methylhept-3-ene

(E)-4-bromo-5-methylhept-3-ene (PubChem CID 171365996) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is (E)-4-bromo-5-methylhept-3-ene.

Molecular Properties

Compound Name(E)-4-bromo-5-methylhept-3-ene
PubChem CID171365996
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name(E)-4-bromo-5-methylhept-3-ene
SMILESCC/C=C(/Br)C(C)CC
InChIInChI=1S/C8H15Br/c1-4-6-8(9)7(3)5-2/h6-7H,4-5H2,1-3H3/b8-6+
InChIKeyPJSZYCMVNCZXPQ-SOFGYWHQSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (E)-4-bromo-5-methylhept-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-bromo-5-methylhept-3-ene?
The IUPAC name of (E)-4-bromo-5-methylhept-3-ene (CID 171365996) is (E)-4-bromo-5-methylhept-3-ene.
What is the SMILES notation for (E)-4-bromo-5-methylhept-3-ene?
The canonical SMILES for (E)-4-bromo-5-methylhept-3-ene is CC/C=C(/Br)C(C)CC.
What is the InChIKey of (E)-4-bromo-5-methylhept-3-ene?
The InChIKey is PJSZYCMVNCZXPQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15Br/c1-4-6-8(9)7(3)5-2/h6-7H,4-5H2,1-3H3/b8-6+.
What are the key properties of (E)-4-bromo-5-methylhept-3-ene?
(E)-4-bromo-5-methylhept-3-ene has a molecular weight of 191.11 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromo-5-methylhept-3-ene is sourced from PubChem (CID 171365996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).