(E)-10-nitrotetradec-8-enal

C14H25NO3 — CID 89267040

IUPAC(E)-10-nitrotetradec-8-enal
SMILESCCCCC(/C=C/CCCCCCC=O)[N+](=O)[O-]
InChIInChI=1S/C14H25NO3/c1-2-3-11-14(15(17)18)12-9-7-5-4-6-8-10-13-16/h9,12-14H,2-8,10-11H2,1H3/b12-9+
InChIKeyNHAACKMMFXLXJC-FMIVXFBMSA-N
MW255.36 g/mol
LogP3.92
Rot. Bonds12

About (E)-10-nitrotetradec-8-enal

(E)-10-nitrotetradec-8-enal (PubChem CID 89267040) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (E)-10-nitrotetradec-8-enal.

Molecular Properties

Compound Name(E)-10-nitrotetradec-8-enal
PubChem CID89267040
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(E)-10-nitrotetradec-8-enal
SMILESCCCCC(/C=C/CCCCCCC=O)[N+](=O)[O-]
InChIInChI=1S/C14H25NO3/c1-2-3-11-14(15(17)18)12-9-7-5-4-6-8-10-13-16/h9,12-14H,2-8,10-11H2,1H3/b12-9+
InChIKeyNHAACKMMFXLXJC-FMIVXFBMSA-N
XLogP3.92
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-9-nitrotetradec-10-enal
CID 89267059
methyl (E)-10-nitrooctadec-8-enoate
CID 10617222
2,4-dinitropentadec-5-ene
CID 175228521
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-octadec-13-enal
CID 5367670
(E)-tetradec-7-enal
CID 5283367
tetracos-11-enal
CID 173212441
(E)-hexacos-17-enal
CID 20847611
(E)-octacos-19-enal
CID 25245229
(E)-octadec-8-enal
CID 5365013

Frequently Asked Questions

What is the IUPAC name of (E)-10-nitrotetradec-8-enal?
The IUPAC name of (E)-10-nitrotetradec-8-enal (CID 89267040) is (E)-10-nitrotetradec-8-enal.
What is the SMILES notation for (E)-10-nitrotetradec-8-enal?
The canonical SMILES for (E)-10-nitrotetradec-8-enal is CCCCC(/C=C/CCCCCCC=O)[N+](=O)[O-].
What is the InChIKey of (E)-10-nitrotetradec-8-enal?
The InChIKey is NHAACKMMFXLXJC-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-11-14(15(17)18)12-9-7-5-4-6-8-10-13-16/h9,12-14H,2-8,10-11H2,1H3/b12-9+.
What are the key properties of (E)-10-nitrotetradec-8-enal?
(E)-10-nitrotetradec-8-enal has a molecular weight of 255.36 g/mol, XLogP of 3.92, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-nitrotetradec-8-enal is sourced from PubChem (CID 89267040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).