CID 172820816

C17H26NaO2 — CID 172820816

IUPAC—
SMILESCCCCCCCCCCOC(=O)c1ccccc1.[Na]
InChIInChI=1S/C17H26O2.Na/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;
InChIKeyUETUXQTWGZNWST-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.60
Rot. Bonds10

About CID 172820816

CID 172820816 (PubChem CID 172820816) has the molecular formula C17H26NaO2 and a molecular weight of 285.38 g/mol.

Molecular Properties

Compound NameCID 172820816
PubChem CID172820816
Molecular FormulaC17H26NaO2
Molecular Weight285.38 g/mol
Exact Mass285.18
IUPAC Name—
SMILESCCCCCCCCCCOC(=O)c1ccccc1.[Na]
InChIInChI=1S/C17H26O2.Na/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;
InChIKeyUETUXQTWGZNWST-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 ≤ 500285.38
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 172820816?
The IUPAC name of CID 172820816 (CID 172820816) is not available.
What is the SMILES notation for CID 172820816?
The canonical SMILES for CID 172820816 is CCCCCCCCCCOC(=O)c1ccccc1.[Na].
What is the InChIKey of CID 172820816?
The InChIKey is UETUXQTWGZNWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.Na/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 172820816?
CID 172820816 has a molecular weight of 285.38 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 172820816 is sourced from PubChem (CID 172820816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).