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

C11H21Br — CID 165445728

IUPAC5-(bromomethyl)-4,7-dimethyloct-1-ene
SMILESC=CCC(C)C(CBr)CC(C)C
InChIInChI=1S/C11H21Br/c1-5-6-10(4)11(8-12)7-9(2)3/h5,9-11H,1,6-8H2,2-4H3
InChIKeyRMBAAFOELBDQLA-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.26
Rot. Bonds6

About 5-(bromomethyl)-4,7-dimethyloct-1-ene

5-(bromomethyl)-4,7-dimethyloct-1-ene (PubChem CID 165445728) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 5-(bromomethyl)-4,7-dimethyloct-1-ene.

Molecular Properties

Compound Name5-(bromomethyl)-4,7-dimethyloct-1-ene
PubChem CID165445728
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name5-(bromomethyl)-4,7-dimethyloct-1-ene
SMILESC=CCC(C)C(CBr)CC(C)C
InChIInChI=1S/C11H21Br/c1-5-6-10(4)11(8-12)7-9(2)3/h5,9-11H,1,6-8H2,2-4H3
InChIKeyRMBAAFOELBDQLA-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.26
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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Related Compounds

4-(bromomethyl)-6-methoxy-5-methylhex-1-ene
CID 165442980
5-bromo-4-methylhex-1-ene
CID 78976582
S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine
CID 146361099
6-methyl-N-propan-2-ylhept-1-en-4-amine
CID 129015544
4,5,6-trimethyloct-1-ene
CID 91354249
(4S)-6-methylhept-1-en-4-amine
CID 55284878
4-propan-2-ylhepta-1,6-diene
CID 14140894
CID 174149816
CID 174149816
5-ethyl-4-methylnon-1-ene
CID 22027489
5-bromo-4-(bromomethyl)pent-1-ene
CID 119097828
4-ethyl-5,6-dimethyloct-1-ene
CID 123882592
4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol
CID 115714778

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4,7-dimethyloct-1-ene?
The IUPAC name of 5-(bromomethyl)-4,7-dimethyloct-1-ene (CID 165445728) is 5-(bromomethyl)-4,7-dimethyloct-1-ene.
What is the SMILES notation for 5-(bromomethyl)-4,7-dimethyloct-1-ene?
The canonical SMILES for 5-(bromomethyl)-4,7-dimethyloct-1-ene is C=CCC(C)C(CBr)CC(C)C.
What is the InChIKey of 5-(bromomethyl)-4,7-dimethyloct-1-ene?
The InChIKey is RMBAAFOELBDQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-5-6-10(4)11(8-12)7-9(2)3/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of 5-(bromomethyl)-4,7-dimethyloct-1-ene?
5-(bromomethyl)-4,7-dimethyloct-1-ene has a molecular weight of 233.19 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4,7-dimethyloct-1-ene is sourced from PubChem (CID 165445728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).