CID 68518361

C6H8NaO — CID 68518361

IUPAC—
SMILESO=C1C=CCCC1.[Na]
InChIInChI=1S/C6H8O.Na/c7-6-4-2-1-3-5-6;/h2,4H,1,3,5H2;
InChIKeyPUECBQBLNGFMOV-UHFFFAOYSA-N
MW119.12 g/mol
LogP0.91
Rot. Bonds

About CID 68518361

CID 68518361 (PubChem CID 68518361) has the molecular formula C6H8NaO and a molecular weight of 119.12 g/mol.

Molecular Properties

Compound NameCID 68518361
PubChem CID68518361
Molecular FormulaC6H8NaO
Molecular Weight119.12 g/mol
Exact Mass119.05
IUPAC Name—
SMILESO=C1C=CCCC1.[Na]
InChIInChI=1S/C6H8O.Na/c7-6-4-2-1-3-5-6;/h2,4H,1,3,5H2;
InChIKeyPUECBQBLNGFMOV-UHFFFAOYSA-N
XLogP0.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 68518361?
The IUPAC name of CID 68518361 (CID 68518361) is not available.
What is the SMILES notation for CID 68518361?
The canonical SMILES for CID 68518361 is O=C1C=CCCC1.[Na].
What is the InChIKey of CID 68518361?
The InChIKey is PUECBQBLNGFMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.Na/c7-6-4-2-1-3-5-6;/h2,4H,1,3,5H2;.
What are the key properties of CID 68518361?
CID 68518361 has a molecular weight of 119.12 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68518361 is sourced from PubChem (CID 68518361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).