potassium;formyl dodecanoate;hydride

C13H25KO3 — CID 173298306

IUPACpotassium;formyl dodecanoate;hydride
SMILESCCCCCCCCCCCC(=O)OC=O.[H-].[K+]
InChIInChI=1S/C13H24O3.K.H/c1-2-3-4-5-6-7-8-9-10-11-13(15)16-12-14;;/h12H,2-11H2,1H3;;/q;+1;-1
InChIKeySOPDSXYOOGRCLE-UHFFFAOYSA-N
MW268.44 g/mol
LogP0.72
Rot. Bonds11

About potassium;formyl dodecanoate;hydride

potassium;formyl dodecanoate;hydride (PubChem CID 173298306) has the molecular formula C13H25KO3 and a molecular weight of 268.44 g/mol. Its IUPAC name is potassium;formyl dodecanoate;hydride.

Molecular Properties

Compound Namepotassium;formyl dodecanoate;hydride
PubChem CID173298306
Molecular FormulaC13H25KO3
Molecular Weight268.44 g/mol
Exact Mass268.14
IUPAC Namepotassium;formyl dodecanoate;hydride
SMILESCCCCCCCCCCCC(=O)OC=O.[H-].[K+]
InChIInChI=1S/C13H24O3.K.H/c1-2-3-4-5-6-7-8-9-10-11-13(15)16-12-14;;/h12H,2-11H2,1H3;;/q;+1;-1
InChIKeySOPDSXYOOGRCLE-UHFFFAOYSA-N
XLogP0.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formyl docosanoate
CID 87130713
formyl heptanoate
CID 57242473
diformyl octanedioate
CID 22123750
diformyl dodecanedioate
CID 57224405
ethenyl heptatriacontanoate
CID 139682782
ethenyl octacosanoate
CID 54439588
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
acetic acid;ethenyl octadecanoate
CID 87067593
potassium;hydride;methyl octadecanoate
CID 175153010
prop-1-enyl dodecanoate
CID 87388098

Frequently Asked Questions

What is the IUPAC name of potassium;formyl dodecanoate;hydride?
The IUPAC name of potassium;formyl dodecanoate;hydride (CID 173298306) is potassium;formyl dodecanoate;hydride.
What is the SMILES notation for potassium;formyl dodecanoate;hydride?
The canonical SMILES for potassium;formyl dodecanoate;hydride is CCCCCCCCCCCC(=O)OC=O.[H-].[K+].
What is the InChIKey of potassium;formyl dodecanoate;hydride?
The InChIKey is SOPDSXYOOGRCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3.K.H/c1-2-3-4-5-6-7-8-9-10-11-13(15)16-12-14;;/h12H,2-11H2,1H3;;/q;+1;-1.
What are the key properties of potassium;formyl dodecanoate;hydride?
potassium;formyl dodecanoate;hydride has a molecular weight of 268.44 g/mol, XLogP of 0.72, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;formyl dodecanoate;hydride is sourced from PubChem (CID 173298306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).