1-bromoundec-3-ene

C11H21Br — CID 54069038

IUPAC1-bromoundec-3-ene
SMILESCCCCCCCC=CCCBr
InChIInChI=1S/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h8-9H,2-7,10-11H2,1H3
InChIKeyMFBPIYNOJXSINH-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.69
Rot. Bonds8

About 1-bromoundec-3-ene

1-bromoundec-3-ene (PubChem CID 54069038) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-bromoundec-3-ene.

Molecular Properties

Compound Name1-bromoundec-3-ene
PubChem CID54069038
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name1-bromoundec-3-ene
SMILESCCCCCCCC=CCCBr
InChIInChI=1S/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h8-9H,2-7,10-11H2,1H3
InChIKeyMFBPIYNOJXSINH-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

(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
(E)-1-bromoundec-5-ene
CID 13044969
(Z)-heptacos-11-ene
CID 56936074
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
(24Z)-hexatriaconta-9,24-diene
CID 173127472
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of 1-bromoundec-3-ene?
The IUPAC name of 1-bromoundec-3-ene (CID 54069038) is 1-bromoundec-3-ene.
What is the SMILES notation for 1-bromoundec-3-ene?
The canonical SMILES for 1-bromoundec-3-ene is CCCCCCCC=CCCBr.
What is the InChIKey of 1-bromoundec-3-ene?
The InChIKey is MFBPIYNOJXSINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h8-9H,2-7,10-11H2,1H3.
What are the key properties of 1-bromoundec-3-ene?
1-bromoundec-3-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 1-bromoundec-3-ene is sourced from PubChem (CID 54069038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).