2,4-dinitropentadec-5-ene

C15H28N2O4 — CID 175228521

IUPAC2,4-dinitropentadec-5-ene
SMILESCCCCCCCCCC=CC(CC(C)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C15H28N2O4/c1-3-4-5-6-7-8-9-10-11-12-15(17(20)21)13-14(2)16(18)19/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyHDNQBVKXZZLXJV-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.38
Rot. Bonds13

About 2,4-dinitropentadec-5-ene

2,4-dinitropentadec-5-ene (PubChem CID 175228521) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2,4-dinitropentadec-5-ene.

Molecular Properties

Compound Name2,4-dinitropentadec-5-ene
PubChem CID175228521
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2,4-dinitropentadec-5-ene
SMILESCCCCCCCCCC=CC(CC(C)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C15H28N2O4/c1-3-4-5-6-7-8-9-10-11-12-15(17(20)21)13-14(2)16(18)19/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyHDNQBVKXZZLXJV-UHFFFAOYSA-N
XLogP4.38
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-15-nitrodocos-16-enal
CID 89267018
(E)-10-nitrotetradec-8-enal
CID 89267040
methyl (E)-10-nitrooctadec-8-enoate
CID 10617222
(E)-9-nitrotetradec-10-enal
CID 89267059
(E)-1-nitroundec-1-ene
CID 139252684
(E)-1-nitropentadec-1-ene
CID 14753110
2-chlorodec-3-ene
CID 71337420
undec-3-en-2-ol
CID 174515693
3-methyltetradec-4-ene
CID 123180851
(Z)-2-methyloct-3-ene;octane
CID 159051061
(E)-10-methylheptadec-8-ene
CID 10923034
(E,11S)-11-methyltricos-9-ene
CID 163215390

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitropentadec-5-ene?
The IUPAC name of 2,4-dinitropentadec-5-ene (CID 175228521) is 2,4-dinitropentadec-5-ene.
What is the SMILES notation for 2,4-dinitropentadec-5-ene?
The canonical SMILES for 2,4-dinitropentadec-5-ene is CCCCCCCCCC=CC(CC(C)[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of 2,4-dinitropentadec-5-ene?
The InChIKey is HDNQBVKXZZLXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-3-4-5-6-7-8-9-10-11-12-15(17(20)21)13-14(2)16(18)19/h11-12,14-15H,3-10,13H2,1-2H3.
What are the key properties of 2,4-dinitropentadec-5-ene?
2,4-dinitropentadec-5-ene has a molecular weight of 300.40 g/mol, XLogP of 4.38, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitropentadec-5-ene is sourced from PubChem (CID 175228521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).