sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate

C11H15NaO6 — CID 162317079

IUPACsodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCCC(=O)[O-].[Na+]
InChIInChI=1S/C11H16O6.Na/c1-8(2)11(15)17-7-6-16-10(14)5-3-4-9(12)13;/h1,3-7H2,2H3,(H,12,13);/q;+1/p-1
InChIKeyUESZXMDGRZFXQC-UHFFFAOYSA-M
MW266.22 g/mol
LogP-3.43
Rot. Bonds8

About sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate

sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate (PubChem CID 162317079) has the molecular formula C11H15NaO6 and a molecular weight of 266.22 g/mol. Its IUPAC name is sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate.

Molecular Properties

Compound Namesodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate
PubChem CID162317079
Molecular FormulaC11H15NaO6
Molecular Weight266.22 g/mol
Exact Mass266.08
IUPAC Namesodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCCC(=O)[O-].[Na+]
InChIInChI=1S/C11H16O6.Na/c1-8(2)11(15)17-7-6-16-10(14)5-3-4-9(12)13;/h1,3-7H2,2H3,(H,12,13);/q;+1/p-1
InChIKeyUESZXMDGRZFXQC-UHFFFAOYSA-M
XLogP-3.43
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 5-3.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
2-(2-methylprop-2-enoyloxy)ethyl docosanoate
CID 135130314
2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate
CID 141150360
2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate
CID 89274312
propyl 4-(2-methylprop-2-enoyloxy)butanoate
CID 157240660
5-O-(1,1,1,2,3,3,3-heptafluoropropan-2-yl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 59746087
2-(2-methylprop-2-enoyloxy)ethyl 6-(4-chlorobutanoyloxy)hexanoate
CID 102447588
2-(2-methylprop-2-enoyloxy)ethyl 4-cyanatobutanoate
CID 129107798
4-O-chloro 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 140816543
2-[3-[[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]disulfanyl]propanoyloxy]ethyl 2-methylprop-2-enoate
CID 155426077
2-(2-methylprop-2-enoyloxy)ethyl 4-chloro-4-oxobutanoate
CID 58942580
6-[8-(2-methylprop-2-enoyloxy)octoxy]-6-oxohexanoic acid
CID 155658741

Frequently Asked Questions

What is the IUPAC name of sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate?
The IUPAC name of sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate (CID 162317079) is sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate.
What is the SMILES notation for sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate?
The canonical SMILES for sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate is C=C(C)C(=O)OCCOC(=O)CCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate?
The InChIKey is UESZXMDGRZFXQC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16O6.Na/c1-8(2)11(15)17-7-6-16-10(14)5-3-4-9(12)13;/h1,3-7H2,2H3,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate?
sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate has a molecular weight of 266.22 g/mol, XLogP of -3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate is sourced from PubChem (CID 162317079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).