4-(bromomethyl)-2-chloro-4-methylhept-1-ene

C9H16BrCl — CID 165443140

IUPAC4-(bromomethyl)-2-chloro-4-methylhept-1-ene
SMILESC=C(Cl)CC(C)(CBr)CCC
InChIInChI=1S/C9H16BrCl/c1-4-5-9(3,7-10)6-8(2)11/h2,4-7H2,1,3H3
InChIKeyMRIWLBGNMLQSAS-UHFFFAOYSA-N
MW239.58 g/mol
LogP4.33
Rot. Bonds5

About 4-(bromomethyl)-2-chloro-4-methylhept-1-ene

4-(bromomethyl)-2-chloro-4-methylhept-1-ene (PubChem CID 165443140) has the molecular formula C9H16BrCl and a molecular weight of 239.58 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-4-methylhept-1-ene.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-4-methylhept-1-ene
PubChem CID165443140
Molecular FormulaC9H16BrCl
Molecular Weight239.58 g/mol
Exact Mass238.01
IUPAC Name4-(bromomethyl)-2-chloro-4-methylhept-1-ene
SMILESC=C(Cl)CC(C)(CBr)CCC
InChIInChI=1S/C9H16BrCl/c1-4-5-9(3,7-10)6-8(2)11/h2,4-7H2,1,3H3
InChIKeyMRIWLBGNMLQSAS-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(chloromethyl)-4-methylhept-1-ene
CID 165443138
4-(bromomethyl)-4-methylnonane
CID 66048915
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
2-(chloromethyl)-2-methylpentan-1-ol
CID 55303877
4-(2-chloroethyl)-4-methylheptane
CID 174403008
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3-methylhexane
CID 104568722
1-[2-(bromomethyl)-2-methylpentyl]-3-chlorobenzene
CID 66047818
4,4-bis(bromomethyl)heptane
CID 79004116
1-bromo-2,2-bis(bromomethyl)pentane
CID 88845529
2-[2-(bromomethyl)-2-methylpentyl]-1,3,5-trimethylbenzene
CID 66049138
1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene
CID 66049999
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-4-methylhept-1-ene?
The IUPAC name of 4-(bromomethyl)-2-chloro-4-methylhept-1-ene (CID 165443140) is 4-(bromomethyl)-2-chloro-4-methylhept-1-ene.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-4-methylhept-1-ene?
The canonical SMILES for 4-(bromomethyl)-2-chloro-4-methylhept-1-ene is C=C(Cl)CC(C)(CBr)CCC.
What is the InChIKey of 4-(bromomethyl)-2-chloro-4-methylhept-1-ene?
The InChIKey is MRIWLBGNMLQSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrCl/c1-4-5-9(3,7-10)6-8(2)11/h2,4-7H2,1,3H3.
What are the key properties of 4-(bromomethyl)-2-chloro-4-methylhept-1-ene?
4-(bromomethyl)-2-chloro-4-methylhept-1-ene has a molecular weight of 239.58 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chloro-4-methylhept-1-ene is sourced from PubChem (CID 165443140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).