9-bromo-2-methyldec-4-ene

C11H21Br — CID 54277179

IUPAC9-bromo-2-methyldec-4-ene
SMILESCC(C)CC=CCCCC(C)Br
InChIInChI=1S/C11H21Br/c1-10(2)8-6-4-5-7-9-11(3)12/h4,6,10-11H,5,7-9H2,1-3H3
InChIKeyROFHVKOZIVBNSC-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.54
Rot. Bonds6

About 9-bromo-2-methyldec-4-ene

9-bromo-2-methyldec-4-ene (PubChem CID 54277179) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 9-bromo-2-methyldec-4-ene.

Molecular Properties

Compound Name9-bromo-2-methyldec-4-ene
PubChem CID54277179
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name9-bromo-2-methyldec-4-ene
SMILESCC(C)CC=CCCCC(C)Br
InChIInChI=1S/C11H21Br/c1-10(2)8-6-4-5-7-9-11(3)12/h4,6,10-11H,5,7-9H2,1-3H3
InChIKeyROFHVKOZIVBNSC-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
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

(Z)-1-Bromo-4-decene
CID 10932932
(S)-(+)-Citronellyl bromide
CID 10900106
(R)-(-)-Citronellyl bromide
CID 11042221
4-Nonene, 1-bromo-, (Z)-
CID 5364487
3-Decene, 10-bromo-, (3Z)-
CID 177843236
8-Bromo-2,6-dimethyloct-2-ene
CID 4328245
5-Decene, 1-bromo-, (Z)-
CID 5364499
(z)-4-Undecenyl bromide
CID 13845558
1-Bromo-4-nonene
CID 543380
(Z)-1-bromodec-3-ene
CID 13562036
4-Nonene, 1-bromo-, (E)-
CID 5364491
(Z)-1-Bromo-3-nonene
CID 10750744

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-methyldec-4-ene?
The IUPAC name of 9-bromo-2-methyldec-4-ene (CID 54277179) is 9-bromo-2-methyldec-4-ene.
What is the SMILES notation for 9-bromo-2-methyldec-4-ene?
The canonical SMILES for 9-bromo-2-methyldec-4-ene is CC(C)CC=CCCCC(C)Br.
What is the InChIKey of 9-bromo-2-methyldec-4-ene?
The InChIKey is ROFHVKOZIVBNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-10(2)8-6-4-5-7-9-11(3)12/h4,6,10-11H,5,7-9H2,1-3H3.
What are the key properties of 9-bromo-2-methyldec-4-ene?
9-bromo-2-methyldec-4-ene has a molecular weight of 233.19 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-methyldec-4-ene is sourced from PubChem (CID 54277179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).