sodium 2-decanoyloxypropanoate

C13H23NaO4 — CID 71466453

IUPACsodium 2-decanoyloxypropanoate
SMILESCCCCCCCCCC(=O)OC(C)C(=O)[O-].[Na+]
InChIInChI=1S/C13H24O4.Na/c1-3-4-5-6-7-8-9-10-12(14)17-11(2)13(15)16;/h11H,3-10H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyCZNFLKSQITYDMY-UHFFFAOYSA-M
MW266.31 g/mol
LogP-1.19
Rot. Bonds10

About sodium 2-decanoyloxypropanoate

sodium 2-decanoyloxypropanoate (PubChem CID 71466453) has the molecular formula C13H23NaO4 and a molecular weight of 266.31 g/mol. Its IUPAC name is sodium 2-decanoyloxypropanoate.

Molecular Properties

Compound Namesodium 2-decanoyloxypropanoate
PubChem CID71466453
Molecular FormulaC13H23NaO4
Molecular Weight266.31 g/mol
Exact Mass266.15
IUPAC Namesodium 2-decanoyloxypropanoate
SMILESCCCCCCCCCC(=O)OC(C)C(=O)[O-].[Na+]
InChIInChI=1S/C13H24O4.Na/c1-3-4-5-6-7-8-9-10-12(14)17-11(2)13(15)16;/h11H,3-10H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyCZNFLKSQITYDMY-UHFFFAOYSA-M
XLogP-1.19
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tricaprylin
CID 10850
Propylene Glycol Dipelargonate
CID 38855
Propylene Glycol Dicaprylate
CID 94339
Sodium Stearoyl Lactylate
CID 23671849
Calcium stearoyl-2-lactylate
CID 22037
Stearoyl lactylate
CID 22038
Propylene Glycol Dicaprate
CID 103849
Diisopropyl Sebacate
CID 24096
Trinonanoin
CID 31350
Propylene glycol 1,2-distearate
CID 110800
Sodium Isostearoyl Lactylate
CID 23662614
Sodium Lauroyl Lactylate
CID 23674328

Frequently Asked Questions

What is the IUPAC name of sodium 2-decanoyloxypropanoate?
The IUPAC name of sodium 2-decanoyloxypropanoate (CID 71466453) is sodium 2-decanoyloxypropanoate.
What is the SMILES notation for sodium 2-decanoyloxypropanoate?
The canonical SMILES for sodium 2-decanoyloxypropanoate is CCCCCCCCCC(=O)OC(C)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-decanoyloxypropanoate?
The InChIKey is CZNFLKSQITYDMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H24O4.Na/c1-3-4-5-6-7-8-9-10-12(14)17-11(2)13(15)16;/h11H,3-10H2,1-2H3,(H,15,16);/q;+1/p-1.
What are the key properties of sodium 2-decanoyloxypropanoate?
sodium 2-decanoyloxypropanoate has a molecular weight of 266.31 g/mol, XLogP of -1.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-decanoyloxypropanoate is sourced from PubChem (CID 71466453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).