CID 70369806

C21H36NaO2 — CID 70369806

IUPAC—
SMILESCCCCCCCCCCCCCCCc1cc(O)ccc1O.[Na]
InChIInChI=1S/C21H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-18-20(22)16-17-21(19)23;/h16-18,22-23H,2-15H2,1H3;
InChIKeySZABDZQEJIVBIB-UHFFFAOYSA-N
MW343.51 g/mol
LogP6.35
Rot. Bonds14

About CID 70369806

CID 70369806 (PubChem CID 70369806) has the molecular formula C21H36NaO2 and a molecular weight of 343.51 g/mol.

Molecular Properties

Compound NameCID 70369806
PubChem CID70369806
Molecular FormulaC21H36NaO2
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name—
SMILESCCCCCCCCCCCCCCCc1cc(O)ccc1O.[Na]
InChIInChI=1S/C21H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-18-20(22)16-17-21(19)23;/h16-18,22-23H,2-15H2,1H3;
InChIKeySZABDZQEJIVBIB-UHFFFAOYSA-N
XLogP6.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70369806?
The IUPAC name of CID 70369806 (CID 70369806) is not available.
What is the SMILES notation for CID 70369806?
The canonical SMILES for CID 70369806 is CCCCCCCCCCCCCCCc1cc(O)ccc1O.[Na].
What is the InChIKey of CID 70369806?
The InChIKey is SZABDZQEJIVBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-18-20(22)16-17-21(19)23;/h16-18,22-23H,2-15H2,1H3;.
What are the key properties of CID 70369806?
CID 70369806 has a molecular weight of 343.51 g/mol, XLogP of 6.35, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70369806 is sourced from PubChem (CID 70369806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).