8-nitropentadec-1-ene

C15H29NO2 — CID 123331556

IUPAC8-nitropentadec-1-ene
SMILESC=CCCCCCC(CCCCCCC)[N+](=O)[O-]
InChIInChI=1S/C15H29NO2/c1-3-5-7-9-11-13-15(16(17)18)14-12-10-8-6-4-2/h3,15H,1,4-14H2,2H3
InChIKeyRABZTZRQNRIPTA-UHFFFAOYSA-N
MW255.40 g/mol
LogP5.13
Rot. Bonds13

About 8-nitropentadec-1-ene

8-nitropentadec-1-ene (PubChem CID 123331556) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 8-nitropentadec-1-ene.

Molecular Properties

Compound Name8-nitropentadec-1-ene
PubChem CID123331556
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name8-nitropentadec-1-ene
SMILESC=CCCCCCC(CCCCCCC)[N+](=O)[O-]
InChIInChI=1S/C15H29NO2/c1-3-5-7-9-11-13-15(16(17)18)14-12-10-8-6-4-2/h3,15H,1,4-14H2,2H3
InChIKeyRABZTZRQNRIPTA-UHFFFAOYSA-N
XLogP5.13
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 ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

7-nitrohexadecane
CID 87201115
6-nitrododecane
CID 11095997
9-nitrooctadecane
CID 87201118
5-nitrononadecane
CID 167528506
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
9-nitroheptadecane;6-nitropentadecane;1-nitrotridecane
CID 87201342
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706

Frequently Asked Questions

What is the IUPAC name of 8-nitropentadec-1-ene?
The IUPAC name of 8-nitropentadec-1-ene (CID 123331556) is 8-nitropentadec-1-ene.
What is the SMILES notation for 8-nitropentadec-1-ene?
The canonical SMILES for 8-nitropentadec-1-ene is C=CCCCCCC(CCCCCCC)[N+](=O)[O-].
What is the InChIKey of 8-nitropentadec-1-ene?
The InChIKey is RABZTZRQNRIPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-7-9-11-13-15(16(17)18)14-12-10-8-6-4-2/h3,15H,1,4-14H2,2H3.
What are the key properties of 8-nitropentadec-1-ene?
8-nitropentadec-1-ene has a molecular weight of 255.40 g/mol, XLogP of 5.13, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitropentadec-1-ene is sourced from PubChem (CID 123331556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).