CID 173460801

C22H30Na2O — CID 173460801

IUPAC—
SMILESCCCCCCCCCCc1ccccc1C12C=CC=CC1O2.[Na].[Na]
InChIInChI=1S/C22H30O.2Na/c1-2-3-4-5-6-7-8-9-14-19-15-10-11-16-20(19)22-18-13-12-17-21(22)23-22;;/h10-13,15-18,21H,2-9,14H2,1H3;;
InChIKeyRZBDWDUYTUJJKT-UHFFFAOYSA-N
MW356.46 g/mol
LogP5.33
Rot. Bonds10

About CID 173460801

CID 173460801 (PubChem CID 173460801) has the molecular formula C22H30Na2O and a molecular weight of 356.46 g/mol.

Molecular Properties

Compound NameCID 173460801
PubChem CID173460801
Molecular FormulaC22H30Na2O
Molecular Weight356.46 g/mol
Exact Mass356.21
IUPAC Name—
SMILESCCCCCCCCCCc1ccccc1C12C=CC=CC1O2.[Na].[Na]
InChIInChI=1S/C22H30O.2Na/c1-2-3-4-5-6-7-8-9-14-19-15-10-11-16-20(19)22-18-13-12-17-21(22)23-22;;/h10-13,15-18,21H,2-9,14H2,1H3;;
InChIKeyRZBDWDUYTUJJKT-UHFFFAOYSA-N
XLogP5.33
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173460801?
The IUPAC name of CID 173460801 (CID 173460801) is not available.
What is the SMILES notation for CID 173460801?
The canonical SMILES for CID 173460801 is CCCCCCCCCCc1ccccc1C12C=CC=CC1O2.[Na].[Na].
What is the InChIKey of CID 173460801?
The InChIKey is RZBDWDUYTUJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O.2Na/c1-2-3-4-5-6-7-8-9-14-19-15-10-11-16-20(19)22-18-13-12-17-21(22)23-22;;/h10-13,15-18,21H,2-9,14H2,1H3;;.
What are the key properties of CID 173460801?
CID 173460801 has a molecular weight of 356.46 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173460801 is sourced from PubChem (CID 173460801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).