sodium;hydride;2-hydroxypropanoyl hexanoate

C9H17NaO4 — CID 173099387

IUPACsodium;hydride;2-hydroxypropanoyl hexanoate
SMILESCCCCCC(=O)OC(=O)C(C)O.[H-].[Na+]
InChIInChI=1S/C9H16O4.Na.H/c1-3-4-5-6-8(11)13-9(12)7(2)10;;/h7,10H,3-6H2,1-2H3;;/q;+1;-1
InChIKeyQVRMQEQBPYUXMK-UHFFFAOYSA-N
MW212.22 g/mol
LogP-1.87
Rot. Bonds5

About sodium;hydride;2-hydroxypropanoyl hexanoate

sodium;hydride;2-hydroxypropanoyl hexanoate (PubChem CID 173099387) has the molecular formula C9H17NaO4 and a molecular weight of 212.22 g/mol. Its IUPAC name is sodium;hydride;2-hydroxypropanoyl hexanoate.

Molecular Properties

Compound Namesodium;hydride;2-hydroxypropanoyl hexanoate
PubChem CID173099387
Molecular FormulaC9H17NaO4
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Namesodium;hydride;2-hydroxypropanoyl hexanoate
SMILESCCCCCC(=O)OC(=O)C(C)O.[H-].[Na+]
InChIInChI=1S/C9H16O4.Na.H/c1-3-4-5-6-8(11)13-9(12)7(2)10;;/h7,10H,3-6H2,1-2H3;;/q;+1;-1
InChIKeyQVRMQEQBPYUXMK-UHFFFAOYSA-N
XLogP-1.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 5-1.87
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

2-hydroxypropanoyl dodecanoate;zinc
CID 174374656
CID 172741871
CID 172741871
2-hydroxypropanoyl octadecanoate;hydrate
CID 172849458
CID 87243127
CID 87243127
CID 172853270
CID 172853270
calcium;hydride;2-hydroxypropanoyl (Z)-octadec-9-enoate
CID 174485858
2-(2-hydroxypropanoyloxy)propanoyl octanoate
CID 54223275
sodium;hydride;2-methylpentanoyl undecanoate
CID 174060534
sodium;hydride;octanoyl octadecanoate
CID 173299765
[(2S)-2-aminopropanoyl] undecanoate
CID 90134834
CID 175702847
CID 175702847
tetrasodium;ditetradecanoyl (2S)-2-aminopentanedioate;hydride
CID 175312951

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxypropanoyl hexanoate?
The IUPAC name of sodium;hydride;2-hydroxypropanoyl hexanoate (CID 173099387) is sodium;hydride;2-hydroxypropanoyl hexanoate.
What is the SMILES notation for sodium;hydride;2-hydroxypropanoyl hexanoate?
The canonical SMILES for sodium;hydride;2-hydroxypropanoyl hexanoate is CCCCCC(=O)OC(=O)C(C)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxypropanoyl hexanoate?
The InChIKey is QVRMQEQBPYUXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.Na.H/c1-3-4-5-6-8(11)13-9(12)7(2)10;;/h7,10H,3-6H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxypropanoyl hexanoate?
sodium;hydride;2-hydroxypropanoyl hexanoate has a molecular weight of 212.22 g/mol, XLogP of -1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxypropanoyl hexanoate is sourced from PubChem (CID 173099387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).