CID 69466165

C26H35NaO2P — CID 69466165

IUPAC—
SMILESCOc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.[Na]
InChIInChI=1S/C26H35O2P.Na/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;/h9-11,16-21H,3-8,12-15H2,1-2H3;
InChIKeyXDBWCOGKBXTANE-UHFFFAOYSA-N
MW433.53 g/mol
LogP6.76
Rot. Bonds6

About CID 69466165

CID 69466165 (PubChem CID 69466165) has the molecular formula C26H35NaO2P and a molecular weight of 433.53 g/mol.

Molecular Properties

Compound NameCID 69466165
PubChem CID69466165
Molecular FormulaC26H35NaO2P
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name—
SMILESCOc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.[Na]
InChIInChI=1S/C26H35O2P.Na/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;/h9-11,16-21H,3-8,12-15H2,1-2H3;
InChIKeyXDBWCOGKBXTANE-UHFFFAOYSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 69466165?
The IUPAC name of CID 69466165 (CID 69466165) is not available.
What is the SMILES notation for CID 69466165?
The canonical SMILES for CID 69466165 is COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.[Na].
What is the InChIKey of CID 69466165?
The InChIKey is XDBWCOGKBXTANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35O2P.Na/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;/h9-11,16-21H,3-8,12-15H2,1-2H3;.
What are the key properties of CID 69466165?
CID 69466165 has a molecular weight of 433.53 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69466165 is sourced from PubChem (CID 69466165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).