4-(bromomethyl)-4-propylhept-1-ene

C11H21Br — CID 125492204

IUPAC4-(bromomethyl)-4-propylhept-1-ene
SMILESC=CCC(CBr)(CCC)CCC
InChIInChI=1S/C11H21Br/c1-4-7-11(10-12,8-5-2)9-6-3/h4H,1,5-10H2,2-3H3
InChIKeyBRVMPZJKTWYCGH-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.54
Rot. Bonds7

About 4-(bromomethyl)-4-propylhept-1-ene

4-(bromomethyl)-4-propylhept-1-ene (PubChem CID 125492204) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 4-(bromomethyl)-4-propylhept-1-ene.

Molecular Properties

Compound Name4-(bromomethyl)-4-propylhept-1-ene
PubChem CID125492204
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name4-(bromomethyl)-4-propylhept-1-ene
SMILESC=CCC(CBr)(CCC)CCC
InChIInChI=1S/C11H21Br/c1-4-7-11(10-12,8-5-2)9-6-3/h4H,1,5-10H2,2-3H3
InChIKeyBRVMPZJKTWYCGH-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.54
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 4-(bromomethyl)-4-propylhept-1-ene?
The IUPAC name of 4-(bromomethyl)-4-propylhept-1-ene (CID 125492204) is 4-(bromomethyl)-4-propylhept-1-ene.
What is the SMILES notation for 4-(bromomethyl)-4-propylhept-1-ene?
The canonical SMILES for 4-(bromomethyl)-4-propylhept-1-ene is C=CCC(CBr)(CCC)CCC.
What is the InChIKey of 4-(bromomethyl)-4-propylhept-1-ene?
The InChIKey is BRVMPZJKTWYCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-4-7-11(10-12,8-5-2)9-6-3/h4H,1,5-10H2,2-3H3.
What are the key properties of 4-(bromomethyl)-4-propylhept-1-ene?
4-(bromomethyl)-4-propylhept-1-ene has a molecular weight of 233.19 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-propylhept-1-ene is sourced from PubChem (CID 125492204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).