(5E,7E)-5-nitrotetradeca-5,7-dienoic acid

C14H23NO4 — CID 118701781

IUPAC(5E,7E)-5-nitrotetradeca-5,7-dienoic acid
SMILESCCCCCC/C=C/C=C(\CCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-10-13(15(18)19)11-9-12-14(16)17/h7-8,10H,2-6,9,11-12H2,1H3,(H,16,17)/b8-7+,13-10+
InChIKeyWBHKJNXCKZWPFQ-AWGJLQHSSA-N
MW269.34 g/mol
LogP3.93
Rot. Bonds11

About (5E,7E)-5-nitrotetradeca-5,7-dienoic acid

(5E,7E)-5-nitrotetradeca-5,7-dienoic acid (PubChem CID 118701781) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (5E,7E)-5-nitrotetradeca-5,7-dienoic acid.

Molecular Properties

Compound Name(5E,7E)-5-nitrotetradeca-5,7-dienoic acid
PubChem CID118701781
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(5E,7E)-5-nitrotetradeca-5,7-dienoic acid
SMILESCCCCCC/C=C/C=C(\CCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-10-13(15(18)19)11-9-12-14(16)17/h7-8,10H,2-6,9,11-12H2,1H3,(H,16,17)/b8-7+,13-10+
InChIKeyWBHKJNXCKZWPFQ-AWGJLQHSSA-N
XLogP3.93
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

10-nitrohexadec-9-enoic acid
CID 74955183
8-nitropentadec-8-enoic acid
CID 123226831
(E)-8-nitrooctadec-8-enoic acid
CID 132533017
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
pentadeca-5,7-dienoic acid
CID 123590047
heptacosa-12,14-dienoic acid
CID 172824582
copper;(Z)-docos-13-enoic acid
CID 174615859
9-pentyltetradeca-6,8-dienoic acid
CID 123536304

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-5-nitrotetradeca-5,7-dienoic acid?
The IUPAC name of (5E,7E)-5-nitrotetradeca-5,7-dienoic acid (CID 118701781) is (5E,7E)-5-nitrotetradeca-5,7-dienoic acid.
What is the SMILES notation for (5E,7E)-5-nitrotetradeca-5,7-dienoic acid?
The canonical SMILES for (5E,7E)-5-nitrotetradeca-5,7-dienoic acid is CCCCCC/C=C/C=C(\CCCC(=O)O)[N+](=O)[O-].
What is the InChIKey of (5E,7E)-5-nitrotetradeca-5,7-dienoic acid?
The InChIKey is WBHKJNXCKZWPFQ-AWGJLQHSSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-10-13(15(18)19)11-9-12-14(16)17/h7-8,10H,2-6,9,11-12H2,1H3,(H,16,17)/b8-7+,13-10+.
What are the key properties of (5E,7E)-5-nitrotetradeca-5,7-dienoic acid?
(5E,7E)-5-nitrotetradeca-5,7-dienoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-5-nitrotetradeca-5,7-dienoic acid is sourced from PubChem (CID 118701781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).