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

C11H21Br — CID 165446936

IUPAC6-(bromomethyl)-7,7-dimethyloct-1-ene
SMILESC=CCCCC(CBr)C(C)(C)C
InChIInChI=1S/C11H21Br/c1-5-6-7-8-10(9-12)11(2,3)4/h5,10H,1,6-9H2,2-4H3
InChIKeyJVHWHVCYZUFUAQ-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.40
Rot. Bonds5

About 6-(bromomethyl)-7,7-dimethyloct-1-ene

6-(bromomethyl)-7,7-dimethyloct-1-ene (PubChem CID 165446936) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 6-(bromomethyl)-7,7-dimethyloct-1-ene.

Molecular Properties

Compound Name6-(bromomethyl)-7,7-dimethyloct-1-ene
PubChem CID165446936
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name6-(bromomethyl)-7,7-dimethyloct-1-ene
SMILESC=CCCCC(CBr)C(C)(C)C
InChIInChI=1S/C11H21Br/c1-5-6-7-8-10(9-12)11(2,3)4/h5,10H,1,6-9H2,2-4H3
InChIKeyJVHWHVCYZUFUAQ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-iodo-7,7-dimethyloct-1-ene
CID 14938181
6-bromohept-1-ene
CID 12722403
3-(bromomethyl)-2,2,6,6-tetramethylheptane
CID 83143081
6,8,8-trimethylnon-1-ene
CID 55273877
(8S)-9-bromo-8-methylnon-1-ene
CID 125475999
15,16,16-trimethylheptadec-1-ene
CID 174505406
7-bromo-6-(2-bromoethyl)oct-1-ene
CID 130382702
8-bromo-7-chlorooct-1-ene
CID 141314878
9-bromo-6,6-dimethylnon-1-ene
CID 170848048
1-bromooct-7-en-2-ol
CID 12003548
11-(triethoxymethyl)nonadec-1-ene
CID 150184812
6-tert-butylundecane
CID 90714582

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-7,7-dimethyloct-1-ene?
The IUPAC name of 6-(bromomethyl)-7,7-dimethyloct-1-ene (CID 165446936) is 6-(bromomethyl)-7,7-dimethyloct-1-ene.
What is the SMILES notation for 6-(bromomethyl)-7,7-dimethyloct-1-ene?
The canonical SMILES for 6-(bromomethyl)-7,7-dimethyloct-1-ene is C=CCCCC(CBr)C(C)(C)C.
What is the InChIKey of 6-(bromomethyl)-7,7-dimethyloct-1-ene?
The InChIKey is JVHWHVCYZUFUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-5-6-7-8-10(9-12)11(2,3)4/h5,10H,1,6-9H2,2-4H3.
What are the key properties of 6-(bromomethyl)-7,7-dimethyloct-1-ene?
6-(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 6-(bromomethyl)-7,7-dimethyloct-1-ene is sourced from PubChem (CID 165446936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).