1,1-dibromotridec-1-ene

C13H24Br2 — CID 14681915

IUPAC1,1-dibromotridec-1-ene
SMILESCCCCCCCCCCCC=C(Br)Br
InChIInChI=1S/C13H24Br2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h12H,2-11H2,1H3
InChIKeyZKISRYDIXZXCLW-UHFFFAOYSA-N
MW340.14 g/mol
LogP6.54
Rot. Bonds10

About 1,1-dibromotridec-1-ene

1,1-dibromotridec-1-ene (PubChem CID 14681915) has the molecular formula C13H24Br2 and a molecular weight of 340.14 g/mol. Its IUPAC name is 1,1-dibromotridec-1-ene.

Molecular Properties

Compound Name1,1-dibromotridec-1-ene
PubChem CID14681915
Molecular FormulaC13H24Br2
Molecular Weight340.14 g/mol
Exact Mass338.02
IUPAC Name1,1-dibromotridec-1-ene
SMILESCCCCCCCCCCCC=C(Br)Br
InChIInChI=1S/C13H24Br2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h12H,2-11H2,1H3
InChIKeyZKISRYDIXZXCLW-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.14
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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N,N-dimethylformamide;2-methyloct-2-enoic acid
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1,1-diiodonon-1-ene
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2-methylhenicos-2-ene;dihydrobromide
CID 175068359
tricos-1-ene-1,1-diamine
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1-sulfanyltetradec-1-en-1-ol
CID 175360116
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714
(E)-2-iodonon-2-ene
CID 10444893

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromotridec-1-ene?
The IUPAC name of 1,1-dibromotridec-1-ene (CID 14681915) is 1,1-dibromotridec-1-ene.
What is the SMILES notation for 1,1-dibromotridec-1-ene?
The canonical SMILES for 1,1-dibromotridec-1-ene is CCCCCCCCCCCC=C(Br)Br.
What is the InChIKey of 1,1-dibromotridec-1-ene?
The InChIKey is ZKISRYDIXZXCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Br2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h12H,2-11H2,1H3.
What are the key properties of 1,1-dibromotridec-1-ene?
1,1-dibromotridec-1-ene has a molecular weight of 340.14 g/mol, XLogP of 6.54, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromotridec-1-ene is sourced from PubChem (CID 14681915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).