CID 162318522

C13H20NaO — CID 162318522

IUPAC—
SMILESCCCCCCCc1ccc(O)cc1.[Na]
InChIInChI=1S/C13H20O.Na/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12;/h8-11,14H,2-7H2,1H3;
InChIKeySJNJKIDTOLSMTB-UHFFFAOYSA-N
MW215.29 g/mol
LogP3.52
Rot. Bonds6

About CID 162318522

CID 162318522 (PubChem CID 162318522) has the molecular formula C13H20NaO and a molecular weight of 215.29 g/mol.

Molecular Properties

Compound NameCID 162318522
PubChem CID162318522
Molecular FormulaC13H20NaO
Molecular Weight215.29 g/mol
Exact Mass215.14
IUPAC Name—
SMILESCCCCCCCc1ccc(O)cc1.[Na]
InChIInChI=1S/C13H20O.Na/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12;/h8-11,14H,2-7H2,1H3;
InChIKeySJNJKIDTOLSMTB-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 162318522?
The IUPAC name of CID 162318522 (CID 162318522) is not available.
What is the SMILES notation for CID 162318522?
The canonical SMILES for CID 162318522 is CCCCCCCc1ccc(O)cc1.[Na].
What is the InChIKey of CID 162318522?
The InChIKey is SJNJKIDTOLSMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.Na/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12;/h8-11,14H,2-7H2,1H3;.
What are the key properties of CID 162318522?
CID 162318522 has a molecular weight of 215.29 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162318522 is sourced from PubChem (CID 162318522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).