3-(bromomethyl)hept-1-ene

C8H15Br — CID 91622023

IUPAC3-(bromomethyl)hept-1-ene
SMILESC=CC(CBr)CCCC
InChIInChI=1S/C8H15Br/c1-3-5-6-8(4-2)7-9/h4,8H,2-3,5-7H2,1H3
InChIKeyUHVGQPJYYDNJPW-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.37
Rot. Bonds5

About 3-(bromomethyl)hept-1-ene

3-(bromomethyl)hept-1-ene (PubChem CID 91622023) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 3-(bromomethyl)hept-1-ene.

Molecular Properties

Compound Name3-(bromomethyl)hept-1-ene
PubChem CID91622023
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name3-(bromomethyl)hept-1-ene
SMILESC=CC(CBr)CCCC
InChIInChI=1S/C8H15Br/c1-3-5-6-8(4-2)7-9/h4,8H,2-3,5-7H2,1H3
InChIKeyUHVGQPJYYDNJPW-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)hept-1-ene?
The IUPAC name of 3-(bromomethyl)hept-1-ene (CID 91622023) is 3-(bromomethyl)hept-1-ene.
What is the SMILES notation for 3-(bromomethyl)hept-1-ene?
The canonical SMILES for 3-(bromomethyl)hept-1-ene is C=CC(CBr)CCCC.
What is the InChIKey of 3-(bromomethyl)hept-1-ene?
The InChIKey is UHVGQPJYYDNJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-3-5-6-8(4-2)7-9/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 3-(bromomethyl)hept-1-ene?
3-(bromomethyl)hept-1-ene has a molecular weight of 191.11 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)hept-1-ene is sourced from PubChem (CID 91622023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).