1-bromononadec-2-ene

C19H37Br — CID 174854290

IUPAC1-bromononadec-2-ene
SMILESCCCCCCCCCCCCCCCCC=CCBr
InChIInChI=1S/C19H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h17-18H,2-16,19H2,1H3
InChIKeyKNFJKXRKLGHWHH-UHFFFAOYSA-N
MW345.41 g/mol
LogP7.81
Rot. Bonds16

About 1-bromononadec-2-ene

1-bromononadec-2-ene (PubChem CID 174854290) has the molecular formula C19H37Br and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-bromononadec-2-ene.

Molecular Properties

Compound Name1-bromononadec-2-ene
PubChem CID174854290
Molecular FormulaC19H37Br
Molecular Weight345.41 g/mol
Exact Mass344.21
IUPAC Name1-bromononadec-2-ene
SMILESCCCCCCCCCCCCCCCCC=CCBr
InChIInChI=1S/C19H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h17-18H,2-16,19H2,1H3
InChIKeyKNFJKXRKLGHWHH-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.41
LogP ≤ 57.81
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-bromonon-2-ene
CID 54029005
(2E,5E)-1-bromoundeca-2,5-diene
CID 13055613
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of 1-bromononadec-2-ene?
The IUPAC name of 1-bromononadec-2-ene (CID 174854290) is 1-bromononadec-2-ene.
What is the SMILES notation for 1-bromononadec-2-ene?
The canonical SMILES for 1-bromononadec-2-ene is CCCCCCCCCCCCCCCCC=CCBr.
What is the InChIKey of 1-bromononadec-2-ene?
The InChIKey is KNFJKXRKLGHWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h17-18H,2-16,19H2,1H3.
What are the key properties of 1-bromononadec-2-ene?
1-bromononadec-2-ene has a molecular weight of 345.41 g/mol, XLogP of 7.81, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromononadec-2-ene is sourced from PubChem (CID 174854290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).