CID 154714396

C18H31O4 — CID 154714396

IUPAC—
SMILESCCCCC/C=C\C=C/C(CCCCCCCC(=O)O)O[O]
InChIInChI=1S/C18H31O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11-
InChIKeyHZDJXPKFLRUFKX-ZYCNLYSJSA-N
MW311.44 g/mol
LogP5.23
Rot. Bonds15

About CID 154714396

CID 154714396 (PubChem CID 154714396) has the molecular formula C18H31O4 and a molecular weight of 311.44 g/mol.

Molecular Properties

Compound NameCID 154714396
PubChem CID154714396
Molecular FormulaC18H31O4
Molecular Weight311.44 g/mol
Exact Mass311.22
IUPAC Name—
SMILESCCCCC/C=C\C=C/C(CCCCCCCC(=O)O)O[O]
InChIInChI=1S/C18H31O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11-
InChIKeyHZDJXPKFLRUFKX-ZYCNLYSJSA-N
XLogP5.23
TPSA66.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 154714396 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9Z,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid
CID 88541975
(9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid
CID 5280720
(10Z,12E)-9-hydroperoxyoctadeca-10,12-dienoic acid
CID 102326256
13-hydroperoxyoctadeca-9,11-dienoic acid
CID 1426
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388
(9Z,11E)-13-[(2S)-2,5-diaminopentanoyl]oxyoctadeca-9,11-dienoic acid
CID 118107982
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523

Frequently Asked Questions

What is the IUPAC name of CID 154714396?
The IUPAC name of CID 154714396 (CID 154714396) is not available.
What is the SMILES notation for CID 154714396?
The canonical SMILES for CID 154714396 is CCCCC/C=C\C=C/C(CCCCCCCC(=O)O)O[O].
What is the InChIKey of CID 154714396?
The InChIKey is HZDJXPKFLRUFKX-ZYCNLYSJSA-N. The full InChI is InChI=1S/C18H31O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11-.
What are the key properties of CID 154714396?
CID 154714396 has a molecular weight of 311.44 g/mol, XLogP of 5.23, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154714396 is sourced from PubChem (CID 154714396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).