sodium;hydride;2-methylpentanoyl undecanoate

C17H33NaO3 — CID 174060534

IUPACsodium;hydride;2-methylpentanoyl undecanoate
SMILESCCCCCCCCCCC(=O)OC(=O)C(C)CCC.[H-].[Na+]
InChIInChI=1S/C17H32O3.Na.H/c1-4-6-7-8-9-10-11-12-14-16(18)20-17(19)15(3)13-5-2;;/h15H,4-14H2,1-3H3;;/q;+1;-1
InChIKeyBAGBTKXCRODOFM-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.14
Rot. Bonds12

About sodium;hydride;2-methylpentanoyl undecanoate

sodium;hydride;2-methylpentanoyl undecanoate (PubChem CID 174060534) has the molecular formula C17H33NaO3 and a molecular weight of 308.44 g/mol. Its IUPAC name is sodium;hydride;2-methylpentanoyl undecanoate.

Molecular Properties

Compound Namesodium;hydride;2-methylpentanoyl undecanoate
PubChem CID174060534
Molecular FormulaC17H33NaO3
Molecular Weight308.44 g/mol
Exact Mass308.23
IUPAC Namesodium;hydride;2-methylpentanoyl undecanoate
SMILESCCCCCCCCCCC(=O)OC(=O)C(C)CCC.[H-].[Na+]
InChIInChI=1S/C17H32O3.Na.H/c1-4-6-7-8-9-10-11-12-14-16(18)20-17(19)15(3)13-5-2;;/h15H,4-14H2,1-3H3;;/q;+1;-1
InChIKeyBAGBTKXCRODOFM-UHFFFAOYSA-N
XLogP2.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

sodium;hydride;2-hydroxypropanoyl hexanoate
CID 173099387
tetrasodium;ditetradecanoyl (2S)-2-aminopentanedioate;hydride
CID 175312951
sodium;hydride;octanoyl octadecanoate
CID 173299765
[(2S)-2-aminopropanoyl] undecanoate
CID 90134834
2-hydroxypropanoyl octadecanoate;hydrate
CID 172849458
CID 172741871
CID 172741871
2-hydroxypropanoyl dodecanoate;zinc
CID 174374656
tetradecanoyl 2-hexyldecanoate
CID 175257900
CID 172853270
CID 172853270
heptanoyl 2-octyldodecanoate
CID 135235632
CID 175702847
CID 175702847
CID 87243127
CID 87243127

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-methylpentanoyl undecanoate?
The IUPAC name of sodium;hydride;2-methylpentanoyl undecanoate (CID 174060534) is sodium;hydride;2-methylpentanoyl undecanoate.
What is the SMILES notation for sodium;hydride;2-methylpentanoyl undecanoate?
The canonical SMILES for sodium;hydride;2-methylpentanoyl undecanoate is CCCCCCCCCCC(=O)OC(=O)C(C)CCC.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-methylpentanoyl undecanoate?
The InChIKey is BAGBTKXCRODOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3.Na.H/c1-4-6-7-8-9-10-11-12-14-16(18)20-17(19)15(3)13-5-2;;/h15H,4-14H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2-methylpentanoyl undecanoate?
sodium;hydride;2-methylpentanoyl undecanoate has a molecular weight of 308.44 g/mol, XLogP of 2.14, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-methylpentanoyl undecanoate is sourced from PubChem (CID 174060534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).