(Z)-1-bromo-3-methylhept-2-ene

C8H15Br — CID 170848599

IUPAC(Z)-1-bromo-3-methylhept-2-ene
SMILESCCCC/C(C)=C\CBr
InChIInChI=1S/C8H15Br/c1-3-4-5-8(2)6-7-9/h6H,3-5,7H2,1-2H3/b8-6-
InChIKeyCDIFAHNQQBCTFG-VURMDHGXSA-N
MW191.11 g/mol
LogP3.52
Rot. Bonds4

About (Z)-1-bromo-3-methylhept-2-ene

(Z)-1-bromo-3-methylhept-2-ene (PubChem CID 170848599) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is (Z)-1-bromo-3-methylhept-2-ene.

Molecular Properties

Compound Name(Z)-1-bromo-3-methylhept-2-ene
PubChem CID170848599
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name(Z)-1-bromo-3-methylhept-2-ene
SMILESCCCC/C(C)=C\CBr
InChIInChI=1S/C8H15Br/c1-3-4-5-8(2)6-7-9/h6H,3-5,7H2,1-2H3/b8-6-
InChIKeyCDIFAHNQQBCTFG-VURMDHGXSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.52
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'}

Analyze (Z)-1-bromo-3-methylhept-2-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 (Z)-1-bromo-3-methylhept-2-ene?
The IUPAC name of (Z)-1-bromo-3-methylhept-2-ene (CID 170848599) is (Z)-1-bromo-3-methylhept-2-ene.
What is the SMILES notation for (Z)-1-bromo-3-methylhept-2-ene?
The canonical SMILES for (Z)-1-bromo-3-methylhept-2-ene is CCCC/C(C)=C\CBr.
What is the InChIKey of (Z)-1-bromo-3-methylhept-2-ene?
The InChIKey is CDIFAHNQQBCTFG-VURMDHGXSA-N. The full InChI is InChI=1S/C8H15Br/c1-3-4-5-8(2)6-7-9/h6H,3-5,7H2,1-2H3/b8-6-.
What are the key properties of (Z)-1-bromo-3-methylhept-2-ene?
(Z)-1-bromo-3-methylhept-2-ene has a molecular weight of 191.11 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-bromo-3-methylhept-2-ene is sourced from PubChem (CID 170848599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).