CID 162308343

C17H26CaO2 — CID 162308343

IUPAC—
SMILESCCCCCCCCCCOC(=O)c1ccccc1.[Ca]
InChIInChI=1S/C17H26O2.Ca/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16;/h9-11,13-14H,2-8,12,15H2,1H3;
InChIKeyIYYFNGXZWORYKU-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.60
Rot. Bonds10

About CID 162308343

CID 162308343 (PubChem CID 162308343) has the molecular formula C17H26CaO2 and a molecular weight of 302.47 g/mol.

Molecular Properties

Compound NameCID 162308343
PubChem CID162308343
Molecular FormulaC17H26CaO2
Molecular Weight302.47 g/mol
Exact Mass302.16
IUPAC Name—
SMILESCCCCCCCCCCOC(=O)c1ccccc1.[Ca]
InChIInChI=1S/C17H26O2.Ca/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16;/h9-11,13-14H,2-8,12,15H2,1H3;
InChIKeyIYYFNGXZWORYKU-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 162308343?
The IUPAC name of CID 162308343 (CID 162308343) is not available.
What is the SMILES notation for CID 162308343?
The canonical SMILES for CID 162308343 is CCCCCCCCCCOC(=O)c1ccccc1.[Ca].
What is the InChIKey of CID 162308343?
The InChIKey is IYYFNGXZWORYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.Ca/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16;/h9-11,13-14H,2-8,12,15H2,1H3;.
What are the key properties of CID 162308343?
CID 162308343 has a molecular weight of 302.47 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162308343 is sourced from PubChem (CID 162308343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).