CID 172741871

C17H32NaO4 — CID 172741871

IUPAC—
SMILESCCCCCCCCCCCCCC(=O)OC(=O)C(C)O.[Na]
InChIInChI=1S/C17H32O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)21-17(20)15(2)18;/h15,18H,3-14H2,1-2H3;
InChIKeyJFAZYGAOUXLDIN-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.76
Rot. Bonds13

About CID 172741871

CID 172741871 (PubChem CID 172741871) has the molecular formula C17H32NaO4 and a molecular weight of 323.43 g/mol.

Molecular Properties

Compound NameCID 172741871
PubChem CID172741871
Molecular FormulaC17H32NaO4
Molecular Weight323.43 g/mol
Exact Mass323.22
IUPAC Name—
SMILESCCCCCCCCCCCCCC(=O)OC(=O)C(C)O.[Na]
InChIInChI=1S/C17H32O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)21-17(20)15(2)18;/h15,18H,3-14H2,1-2H3;
InChIKeyJFAZYGAOUXLDIN-UHFFFAOYSA-N
XLogP3.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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sodium;hydride;2-hydroxypropanoyl hexanoate
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calcium;hydride;2-hydroxypropanoyl (Z)-octadec-9-enoate
CID 174485858
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CID 175702847
[(2S)-2-aminopropanoyl] undecanoate
CID 90134834
cesium 1-octadecanoyloxy-1-oxopropan-2-olate
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dioctadecanoyl 2-hydroxybutanedioate
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2,3-dihydroxypropanoyl icosanoate
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Frequently Asked Questions

What is the IUPAC name of CID 172741871?
The IUPAC name of CID 172741871 (CID 172741871) is not available.
What is the SMILES notation for CID 172741871?
The canonical SMILES for CID 172741871 is CCCCCCCCCCCCCC(=O)OC(=O)C(C)O.[Na].
What is the InChIKey of CID 172741871?
The InChIKey is JFAZYGAOUXLDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)21-17(20)15(2)18;/h15,18H,3-14H2,1-2H3;.
What are the key properties of CID 172741871?
CID 172741871 has a molecular weight of 323.43 g/mol, XLogP of 3.76, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172741871 is sourced from PubChem (CID 172741871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).