3-bromoundec-1-ene

C11H21Br — CID 15852002

IUPAC3-bromoundec-1-ene
SMILESC=CC(Br)CCCCCCCC
InChIInChI=1S/C11H21Br/c1-3-5-6-7-8-9-10-11(12)4-2/h4,11H,2-3,5-10H2,1H3
InChIKeyIRHKGPSAHUIAJJ-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.69
Rot. Bonds8

About 3-bromoundec-1-ene

3-bromoundec-1-ene (PubChem CID 15852002) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-bromoundec-1-ene.

Molecular Properties

Compound Name3-bromoundec-1-ene
PubChem CID15852002
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name3-bromoundec-1-ene
SMILESC=CC(Br)CCCCCCCC
InChIInChI=1S/C11H21Br/c1-3-5-6-7-8-9-10-11(12)4-2/h4,11H,2-3,5-10H2,1H3
InChIKeyIRHKGPSAHUIAJJ-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.69
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

3-ethenylnon-1-ene
CID 123641938
10-ethenylnonadecane
CID 57244946
ethane;9-ethenylheptadecane;octane
CID 168985515
(E)-5-bromododec-3-ene
CID 88753626
1-bromooctan-1-amine
CID 87659812
undec-1-en-3-ol
CID 3015762
heptadec-1-en-3-ol
CID 11858939
3,6,7-tribromodec-1-ene
CID 57159132
(3R)-dec-1-en-3-ol
CID 12619485
3-chloronon-1-ene
CID 3021823
9-bromooctadec-1-ene
CID 167439794
12-bromodotriacontane
CID 122613066

Frequently Asked Questions

What is the IUPAC name of 3-bromoundec-1-ene?
The IUPAC name of 3-bromoundec-1-ene (CID 15852002) is 3-bromoundec-1-ene.
What is the SMILES notation for 3-bromoundec-1-ene?
The canonical SMILES for 3-bromoundec-1-ene is C=CC(Br)CCCCCCCC.
What is the InChIKey of 3-bromoundec-1-ene?
The InChIKey is IRHKGPSAHUIAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-3-5-6-7-8-9-10-11(12)4-2/h4,11H,2-3,5-10H2,1H3.
What are the key properties of 3-bromoundec-1-ene?
3-bromoundec-1-ene has a molecular weight of 233.19 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoundec-1-ene is sourced from PubChem (CID 15852002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).