CID 162143943

C15H20Na — CID 162143943

IUPAC—
SMILESCCCCCCC1C=Cc2ccccc21.[Na]
InChIInChI=1S/C15H20.Na/c1-2-3-4-5-8-13-11-12-14-9-6-7-10-15(13)14;/h6-7,9-13H,2-5,8H2,1H3;
InChIKeyZKHJQMLCBCRRTC-UHFFFAOYSA-N
MW223.31 g/mol
LogP4.39
Rot. Bonds5

About CID 162143943

CID 162143943 (PubChem CID 162143943) has the molecular formula C15H20Na and a molecular weight of 223.31 g/mol.

Molecular Properties

Compound NameCID 162143943
PubChem CID162143943
Molecular FormulaC15H20Na
Molecular Weight223.31 g/mol
Exact Mass223.15
IUPAC Name—
SMILESCCCCCCC1C=Cc2ccccc21.[Na]
InChIInChI=1S/C15H20.Na/c1-2-3-4-5-8-13-11-12-14-9-6-7-10-15(13)14;/h6-7,9-13H,2-5,8H2,1H3;
InChIKeyZKHJQMLCBCRRTC-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 162143943?
The IUPAC name of CID 162143943 (CID 162143943) is not available.
What is the SMILES notation for CID 162143943?
The canonical SMILES for CID 162143943 is CCCCCCC1C=Cc2ccccc21.[Na].
What is the InChIKey of CID 162143943?
The InChIKey is ZKHJQMLCBCRRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20.Na/c1-2-3-4-5-8-13-11-12-14-9-6-7-10-15(13)14;/h6-7,9-13H,2-5,8H2,1H3;.
What are the key properties of CID 162143943?
CID 162143943 has a molecular weight of 223.31 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162143943 is sourced from PubChem (CID 162143943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).