4-(bromomethyl)-7,7-dimethyloct-1-ene

C11H21Br — CID 165442984

IUPAC4-(bromomethyl)-7,7-dimethyloct-1-ene
SMILESC=CCC(CBr)CCC(C)(C)C
InChIInChI=1S/C11H21Br/c1-5-6-10(9-12)7-8-11(2,3)4/h5,10H,1,6-9H2,2-4H3
InChIKeyCDWFOLAXECPWEM-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.40
Rot. Bonds5

About 4-(bromomethyl)-7,7-dimethyloct-1-ene

4-(bromomethyl)-7,7-dimethyloct-1-ene (PubChem CID 165442984) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 4-(bromomethyl)-7,7-dimethyloct-1-ene.

Molecular Properties

Compound Name4-(bromomethyl)-7,7-dimethyloct-1-ene
PubChem CID165442984
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name4-(bromomethyl)-7,7-dimethyloct-1-ene
SMILESC=CCC(CBr)CCC(C)(C)C
InChIInChI=1S/C11H21Br/c1-5-6-10(9-12)7-8-11(2,3)4/h5,10H,1,6-9H2,2-4H3
InChIKeyCDWFOLAXECPWEM-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.40
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 4-(bromomethyl)-7,7-dimethyloct-1-ene with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-4-(bromomethyl)pent-1-ene
CID 119097828
4-(bromomethyl)-6-propan-2-yloxyhex-1-ene
CID 165442986
4-(bromomethyl)-6-methylsulfinylhex-1-ene
CID 165444105
(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene
CID 129359665
6,6-dimethyl-4-propylhept-1-ene
CID 123561770
3-(bromomethyl)-2,2,6,6-tetramethylheptane
CID 83143081
5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane
CID 160846124
5-(bromomethyl)-2,2,6-trimethylheptane
CID 66043444
ethane;3,3,4-trimethylhepta-1,6-diene
CID 142059658
ethene;4-ethylhex-1-ene
CID 159399050
5-prop-2-enylnona-1,8-diene
CID 54537373
4-(bromomethyl)hept-6-enoxymethylbenzene
CID 131093267

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-7,7-dimethyloct-1-ene?
The IUPAC name of 4-(bromomethyl)-7,7-dimethyloct-1-ene (CID 165442984) is 4-(bromomethyl)-7,7-dimethyloct-1-ene.
What is the SMILES notation for 4-(bromomethyl)-7,7-dimethyloct-1-ene?
The canonical SMILES for 4-(bromomethyl)-7,7-dimethyloct-1-ene is C=CCC(CBr)CCC(C)(C)C.
What is the InChIKey of 4-(bromomethyl)-7,7-dimethyloct-1-ene?
The InChIKey is CDWFOLAXECPWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-5-6-10(9-12)7-8-11(2,3)4/h5,10H,1,6-9H2,2-4H3.
What are the key properties of 4-(bromomethyl)-7,7-dimethyloct-1-ene?
4-(bromomethyl)-7,7-dimethyloct-1-ene has a molecular weight of 233.19 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-7,7-dimethyloct-1-ene is sourced from PubChem (CID 165442984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).