CID 162323226

C19H38NaO2 — CID 162323226

IUPAC—
SMILESCCCCCCCCCCCCCCCCCCOC=O.[Na]
InChIInChI=1S/C19H38O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20;/h19H,2-18H2,1H3;
InChIKeyQIWKWULPMRCKPC-UHFFFAOYSA-N
MW321.50 g/mol
LogP6.04
Rot. Bonds18

About CID 162323226

CID 162323226 (PubChem CID 162323226) has the molecular formula C19H38NaO2 and a molecular weight of 321.50 g/mol.

Molecular Properties

Compound NameCID 162323226
PubChem CID162323226
Molecular FormulaC19H38NaO2
Molecular Weight321.50 g/mol
Exact Mass321.28
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCCOC=O.[Na]
InChIInChI=1S/C19H38O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20;/h19H,2-18H2,1H3;
InChIKeyQIWKWULPMRCKPC-UHFFFAOYSA-N
XLogP6.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.50
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162323226?
The IUPAC name of CID 162323226 (CID 162323226) is not available.
What is the SMILES notation for CID 162323226?
The canonical SMILES for CID 162323226 is CCCCCCCCCCCCCCCCCCOC=O.[Na].
What is the InChIKey of CID 162323226?
The InChIKey is QIWKWULPMRCKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20;/h19H,2-18H2,1H3;.
What are the key properties of CID 162323226?
CID 162323226 has a molecular weight of 321.50 g/mol, XLogP of 6.04, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162323226 is sourced from PubChem (CID 162323226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).