potassium;hydride;methyl octadecanoate

C19H39KO2 — CID 175153010

IUPACpotassium;hydride;methyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC.[H-].[K+]
InChIInChI=1S/C19H38O2.K.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;;/h3-18H2,1-2H3;;/q;+1;-1
InChIKeyJWZZQMZNOBMASS-UHFFFAOYSA-N
MW338.62 g/mol
LogP3.54
Rot. Bonds16

About potassium;hydride;methyl octadecanoate

potassium;hydride;methyl octadecanoate (PubChem CID 175153010) has the molecular formula C19H39KO2 and a molecular weight of 338.62 g/mol. Its IUPAC name is potassium;hydride;methyl octadecanoate.

Molecular Properties

Compound Namepotassium;hydride;methyl octadecanoate
PubChem CID175153010
Molecular FormulaC19H39KO2
Molecular Weight338.62 g/mol
Exact Mass338.26
IUPAC Namepotassium;hydride;methyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC.[H-].[K+]
InChIInChI=1S/C19H38O2.K.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;;/h3-18H2,1-2H3;;/q;+1;-1
InChIKeyJWZZQMZNOBMASS-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.62
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methyl nonanoate;hydrochloride
CID 141151355
methanol;methyl decanoate
CID 174459243
ethane;methyl hexanoate
CID 159004993
methyl 6-oxoicosanoate
CID 57100590
methyl 8-oxotridecanoate
CID 14454473
methyl 7-oxoicosanoate
CID 86186885

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;methyl octadecanoate?
The IUPAC name of potassium;hydride;methyl octadecanoate (CID 175153010) is potassium;hydride;methyl octadecanoate.
What is the SMILES notation for potassium;hydride;methyl octadecanoate?
The canonical SMILES for potassium;hydride;methyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC.[H-].[K+].
What is the InChIKey of potassium;hydride;methyl octadecanoate?
The InChIKey is JWZZQMZNOBMASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2.K.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;;/h3-18H2,1-2H3;;/q;+1;-1.
What are the key properties of potassium;hydride;methyl octadecanoate?
potassium;hydride;methyl octadecanoate has a molecular weight of 338.62 g/mol, XLogP of 3.54, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;methyl octadecanoate is sourced from PubChem (CID 175153010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).