2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate

C8H10O6 — CID 88878043

IUPAC2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate
SMILESCC(=O)C(=O)OCCOC(=O)C(C)=O
InChIInChI=1S/C8H10O6/c1-5(9)7(11)13-3-4-14-8(12)6(2)10/h3-4H2,1-2H3
InChIKeyNGLDJPDGDQFIIN-UHFFFAOYSA-N
MW202.16 g/mol
LogP-0.75
Rot. Bonds5

About 2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate

2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate (PubChem CID 88878043) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate.

Molecular Properties

Compound Name2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate
PubChem CID88878043
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate
SMILESCC(=O)C(=O)OCCOC(=O)C(C)=O
InChIInChI=1S/C8H10O6/c1-5(9)7(11)13-3-4-14-8(12)6(2)10/h3-4H2,1-2H3
InChIKeyNGLDJPDGDQFIIN-UHFFFAOYSA-N
XLogP-0.75
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloropropyl 2-oxopropanoate
CID 55302945
sodium;hydride;2-sulfanylethyl 2-oxopropanoate
CID 173386827
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159689459
CID 159689459
[(Z)-hex-3-enyl] 2-oxopropanoate
CID 5363291
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
(E)-imino-[1-[2-[(2E)-2-iminoazaniumylidene-3-oxobutanoyl]oxyethoxy]-1,3-dioxobutan-2-ylidene]azanium
CID 20832015
2-oxoethyl 2-oxopropanoate
CID 87383810
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
ethyl 2-oxopropanoate;nitrous acid
CID 174912891
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate?
The IUPAC name of 2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate (CID 88878043) is 2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate.
What is the SMILES notation for 2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate?
The canonical SMILES for 2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate is CC(=O)C(=O)OCCOC(=O)C(C)=O.
What is the InChIKey of 2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate?
The InChIKey is NGLDJPDGDQFIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-5(9)7(11)13-3-4-14-8(12)6(2)10/h3-4H2,1-2H3.
What are the key properties of 2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate?
2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate has a molecular weight of 202.16 g/mol, XLogP of -0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate is sourced from PubChem (CID 88878043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).