sodium;hydride;2-hydroxytetradecan-3-one

C14H29NaO2 — CID 173221768

IUPACsodium;hydride;2-hydroxytetradecan-3-one
SMILESCCCCCCCCCCCC(=O)C(C)O.[H-].[Na+]
InChIInChI=1S/C14H28O2.Na.H/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15;;/h13,15H,3-12H2,1-2H3;;/q;+1;-1
InChIKeyDUVGCCQAOBENBY-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.97
Rot. Bonds11

About sodium;hydride;2-hydroxytetradecan-3-one

sodium;hydride;2-hydroxytetradecan-3-one (PubChem CID 173221768) has the molecular formula C14H29NaO2 and a molecular weight of 252.37 g/mol. Its IUPAC name is sodium;hydride;2-hydroxytetradecan-3-one.

Molecular Properties

Compound Namesodium;hydride;2-hydroxytetradecan-3-one
PubChem CID173221768
Molecular FormulaC14H29NaO2
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Namesodium;hydride;2-hydroxytetradecan-3-one
SMILESCCCCCCCCCCCC(=O)C(C)O.[H-].[Na+]
InChIInChI=1S/C14H28O2.Na.H/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15;;/h13,15H,3-12H2,1-2H3;;/q;+1;-1
InChIKeyDUVGCCQAOBENBY-UHFFFAOYSA-N
XLogP0.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyicosan-3-one
CID 57023276
2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947
2-(dimethylamino)docosan-3-one
CID 174986692
2-chloroheptadecan-3-one
CID 88651520
(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
3-oxotetradecan-2-yl 2-hydroxypropanoate
CID 88846031
2-hydroxy-3-oxooctadecanoic acid
CID 21118454
15-hydroxyoctacosan-14-one
CID 11270216
3-hydroxy-2,2-dimethylundecan-4-one
CID 103456168
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
(9S)-9-hydroxyhexadecan-8-one
CID 97045447

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxytetradecan-3-one?
The IUPAC name of sodium;hydride;2-hydroxytetradecan-3-one (CID 173221768) is sodium;hydride;2-hydroxytetradecan-3-one.
What is the SMILES notation for sodium;hydride;2-hydroxytetradecan-3-one?
The canonical SMILES for sodium;hydride;2-hydroxytetradecan-3-one is CCCCCCCCCCCC(=O)C(C)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxytetradecan-3-one?
The InChIKey is DUVGCCQAOBENBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.Na.H/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15;;/h13,15H,3-12H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxytetradecan-3-one?
sodium;hydride;2-hydroxytetradecan-3-one has a molecular weight of 252.37 g/mol, XLogP of 0.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxytetradecan-3-one is sourced from PubChem (CID 173221768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).