CID 70568956

C18H30NaO2 — CID 70568956

IUPAC—
SMILESCCCCCCCCCCCCc1cc(O)ccc1O.[Na]
InChIInChI=1S/C18H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17(19)13-14-18(16)20;/h13-15,19-20H,2-12H2,1H3;
InChIKeyGJLUENLKPUMVKW-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.18
Rot. Bonds11

About CID 70568956

CID 70568956 (PubChem CID 70568956) has the molecular formula C18H30NaO2 and a molecular weight of 301.43 g/mol.

Molecular Properties

Compound NameCID 70568956
PubChem CID70568956
Molecular FormulaC18H30NaO2
Molecular Weight301.43 g/mol
Exact Mass301.21
IUPAC Name—
SMILESCCCCCCCCCCCCc1cc(O)ccc1O.[Na]
InChIInChI=1S/C18H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17(19)13-14-18(16)20;/h13-15,19-20H,2-12H2,1H3;
InChIKeyGJLUENLKPUMVKW-UHFFFAOYSA-N
XLogP5.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.18
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 70568956?
The IUPAC name of CID 70568956 (CID 70568956) is not available.
What is the SMILES notation for CID 70568956?
The canonical SMILES for CID 70568956 is CCCCCCCCCCCCc1cc(O)ccc1O.[Na].
What is the InChIKey of CID 70568956?
The InChIKey is GJLUENLKPUMVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17(19)13-14-18(16)20;/h13-15,19-20H,2-12H2,1H3;.
What are the key properties of CID 70568956?
CID 70568956 has a molecular weight of 301.43 g/mol, XLogP of 5.18, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70568956 is sourced from PubChem (CID 70568956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).