1,12-dibromododec-2-ene

C12H22Br2 — CID 54440565

IUPAC1,12-dibromododec-2-ene
SMILESBrCC=CCCCCCCCCCBr
InChIInChI=1S/C12H22Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9H,1-6,8,10-12H2
InChIKeyWNUMUTBSXFQPSR-UHFFFAOYSA-N
MW326.12 g/mol
LogP5.45
Rot. Bonds10

About 1,12-dibromododec-2-ene

1,12-dibromododec-2-ene (PubChem CID 54440565) has the molecular formula C12H22Br2 and a molecular weight of 326.12 g/mol. Its IUPAC name is 1,12-dibromododec-2-ene.

Molecular Properties

Compound Name1,12-dibromododec-2-ene
PubChem CID54440565
Molecular FormulaC12H22Br2
Molecular Weight326.12 g/mol
Exact Mass324.01
IUPAC Name1,12-dibromododec-2-ene
SMILESBrCC=CCCCCCCCCCBr
InChIInChI=1S/C12H22Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9H,1-6,8,10-12H2
InChIKeyWNUMUTBSXFQPSR-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.12
LogP ≤ 55.45
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

1,7-dibromohept-2-ene
CID 171472304
1,25-dibromopentacos-12-ene
CID 168864699
(Z)-12-bromododec-3-en-1-ol
CID 163205087
1-bromononadec-2-ene
CID 174854290
(E)-17-bromoheptadec-3-en-1-ol
CID 163204836
1-bromonon-2-ene
CID 54029005
(Z)-16-bromohexadec-5-ene
CID 11645149
(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
(E)-15-bromopentadec-5-ene
CID 14309355
1-bromo-12-chlorododeca-2,10-diene
CID 74322485
(Z)-21-bromohenicos-11-en-1-ol
CID 134982012

Frequently Asked Questions

What is the IUPAC name of 1,12-dibromododec-2-ene?
The IUPAC name of 1,12-dibromododec-2-ene (CID 54440565) is 1,12-dibromododec-2-ene.
What is the SMILES notation for 1,12-dibromododec-2-ene?
The canonical SMILES for 1,12-dibromododec-2-ene is BrCC=CCCCCCCCCCBr.
What is the InChIKey of 1,12-dibromododec-2-ene?
The InChIKey is WNUMUTBSXFQPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9H,1-6,8,10-12H2.
What are the key properties of 1,12-dibromododec-2-ene?
1,12-dibromododec-2-ene has a molecular weight of 326.12 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-dibromododec-2-ene is sourced from PubChem (CID 54440565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).