CID 162312155

C30H48Na — CID 162312155

IUPAC—
SMILESCCCCCCCCCCc1ccc2ccccc2c1CCCCCCCCCC.[Na]
InChIInChI=1S/C30H48.Na/c1-3-5-7-9-11-13-15-17-21-27-25-26-28-22-19-20-24-30(28)29(27)23-18-16-14-12-10-8-6-4-2;/h19-20,22,24-26H,3-18,21,23H2,1-2H3;
InChIKeyNDOHHZWTCOBRET-UHFFFAOYSA-N
MW431.70 g/mol
LogP9.83
Rot. Bonds18

About CID 162312155

CID 162312155 (PubChem CID 162312155) has the molecular formula C30H48Na and a molecular weight of 431.70 g/mol.

Molecular Properties

Compound NameCID 162312155
PubChem CID162312155
Molecular FormulaC30H48Na
Molecular Weight431.70 g/mol
Exact Mass431.37
IUPAC Name—
SMILESCCCCCCCCCCc1ccc2ccccc2c1CCCCCCCCCC.[Na]
InChIInChI=1S/C30H48.Na/c1-3-5-7-9-11-13-15-17-21-27-25-26-28-22-19-20-24-30(28)29(27)23-18-16-14-12-10-8-6-4-2;/h19-20,22,24-26H,3-18,21,23H2,1-2H3;
InChIKeyNDOHHZWTCOBRET-UHFFFAOYSA-N
XLogP9.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.70
LogP ≤ 59.83
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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Frequently Asked Questions

What is the IUPAC name of CID 162312155?
The IUPAC name of CID 162312155 (CID 162312155) is not available.
What is the SMILES notation for CID 162312155?
The canonical SMILES for CID 162312155 is CCCCCCCCCCc1ccc2ccccc2c1CCCCCCCCCC.[Na].
What is the InChIKey of CID 162312155?
The InChIKey is NDOHHZWTCOBRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48.Na/c1-3-5-7-9-11-13-15-17-21-27-25-26-28-22-19-20-24-30(28)29(27)23-18-16-14-12-10-8-6-4-2;/h19-20,22,24-26H,3-18,21,23H2,1-2H3;.
What are the key properties of CID 162312155?
CID 162312155 has a molecular weight of 431.70 g/mol, XLogP of 9.83, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162312155 is sourced from PubChem (CID 162312155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).