(E)-1-nitropentadec-1-ene

C15H29NO2 — CID 14753110

IUPAC(E)-1-nitropentadec-1-ene
SMILESCCCCCCCCCCCCC/C=C/[N+](=O)[O-]
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3/b15-14+
InChIKeyVXUKZOXLZJQOHU-CCEZHUSRSA-N
MW255.40 g/mol
LogP5.48
Rot. Bonds13

About (E)-1-nitropentadec-1-ene

(E)-1-nitropentadec-1-ene (PubChem CID 14753110) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (E)-1-nitropentadec-1-ene.

Molecular Properties

Compound Name(E)-1-nitropentadec-1-ene
PubChem CID14753110
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(E)-1-nitropentadec-1-ene
SMILESCCCCCCCCCCCCC/C=C/[N+](=O)[O-]
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3/b15-14+
InChIKeyVXUKZOXLZJQOHU-CCEZHUSRSA-N
XLogP5.48
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.40
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-nitroundec-1-ene
CID 139252684
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(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
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of (E)-1-nitropentadec-1-ene?
The IUPAC name of (E)-1-nitropentadec-1-ene (CID 14753110) is (E)-1-nitropentadec-1-ene.
What is the SMILES notation for (E)-1-nitropentadec-1-ene?
The canonical SMILES for (E)-1-nitropentadec-1-ene is CCCCCCCCCCCCC/C=C/[N+](=O)[O-].
What is the InChIKey of (E)-1-nitropentadec-1-ene?
The InChIKey is VXUKZOXLZJQOHU-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3/b15-14+.
What are the key properties of (E)-1-nitropentadec-1-ene?
(E)-1-nitropentadec-1-ene has a molecular weight of 255.40 g/mol, XLogP of 5.48, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-nitropentadec-1-ene is sourced from PubChem (CID 14753110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).