CID 66933436

C28H44Na — CID 66933436

IUPAC—
SMILESCCCCCCCCCc1ccc2ccccc2c1CCCCCCCCC.[Na]
InChIInChI=1S/C28H44.Na/c1-3-5-7-9-11-13-15-19-25-23-24-26-20-17-18-22-28(26)27(25)21-16-14-12-10-8-6-4-2;/h17-18,20,22-24H,3-16,19,21H2,1-2H3;
InChIKeyFZRJLAPPFMJMCZ-UHFFFAOYSA-N
MW403.65 g/mol
LogP9.05
Rot. Bonds16

About CID 66933436

CID 66933436 (PubChem CID 66933436) has the molecular formula C28H44Na and a molecular weight of 403.65 g/mol.

Molecular Properties

Compound NameCID 66933436
PubChem CID66933436
Molecular FormulaC28H44Na
Molecular Weight403.65 g/mol
Exact Mass403.33
IUPAC Name—
SMILESCCCCCCCCCc1ccc2ccccc2c1CCCCCCCCC.[Na]
InChIInChI=1S/C28H44.Na/c1-3-5-7-9-11-13-15-19-25-23-24-26-20-17-18-22-28(26)27(25)21-16-14-12-10-8-6-4-2;/h17-18,20,22-24H,3-16,19,21H2,1-2H3;
InChIKeyFZRJLAPPFMJMCZ-UHFFFAOYSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 66933436?
The IUPAC name of CID 66933436 (CID 66933436) is not available.
What is the SMILES notation for CID 66933436?
The canonical SMILES for CID 66933436 is CCCCCCCCCc1ccc2ccccc2c1CCCCCCCCC.[Na].
What is the InChIKey of CID 66933436?
The InChIKey is FZRJLAPPFMJMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44.Na/c1-3-5-7-9-11-13-15-19-25-23-24-26-20-17-18-22-28(26)27(25)21-16-14-12-10-8-6-4-2;/h17-18,20,22-24H,3-16,19,21H2,1-2H3;.
What are the key properties of CID 66933436?
CID 66933436 has a molecular weight of 403.65 g/mol, XLogP of 9.05, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66933436 is sourced from PubChem (CID 66933436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).