dipropyl oxirane-2,3-dicarboxylate

C10H16O5 — CID 58624990

IUPACdipropyl oxirane-2,3-dicarboxylate
SMILESCCCOC(=O)C1OC1C(=O)OCCC
InChIInChI=1S/C10H16O5/c1-3-5-13-9(11)7-8(15-7)10(12)14-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyHTBUGCBUXMHNEX-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.66
Rot. Bonds6

About dipropyl oxirane-2,3-dicarboxylate

dipropyl oxirane-2,3-dicarboxylate (PubChem CID 58624990) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is dipropyl oxirane-2,3-dicarboxylate.

Molecular Properties

Compound Namedipropyl oxirane-2,3-dicarboxylate
PubChem CID58624990
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namedipropyl oxirane-2,3-dicarboxylate
SMILESCCCOC(=O)C1OC1C(=O)OCCC
InChIInChI=1S/C10H16O5/c1-3-5-13-9(11)7-8(15-7)10(12)14-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyHTBUGCBUXMHNEX-UHFFFAOYSA-N
XLogP0.66
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

diethyl (2S,3S)-oxirane-2,3-dicarboxylate
CID 7021072
tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130
propyl 3-[N-(4-iodophenyl)-C-propoxycarbonimidoyl]oxirane-2-carboxylate
CID 88736752
propyl 3-methyloxolane-2-carboxylate
CID 81433606
dipropyl (4R,5R)-2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate
CID 139918119
CID 131848895
CID 131848895
2-O-benzyl 3-O-butyl (2S,3R)-oxirane-2,3-dicarboxylate
CID 11161750
3-O-ethyl 2-O-(2-methylpropyl) (2R,3S)-oxirane-2,3-dicarboxylate
CID 10242413
trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 93032108
(1S,2R,3S,4S)-3-propoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98061043
hexadecyl (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 138740372
bis[3-(dimethoxymethylsilyl)propyl] oxirane-2,3-dicarboxylate
CID 71331307

Frequently Asked Questions

What is the IUPAC name of dipropyl oxirane-2,3-dicarboxylate?
The IUPAC name of dipropyl oxirane-2,3-dicarboxylate (CID 58624990) is dipropyl oxirane-2,3-dicarboxylate.
What is the SMILES notation for dipropyl oxirane-2,3-dicarboxylate?
The canonical SMILES for dipropyl oxirane-2,3-dicarboxylate is CCCOC(=O)C1OC1C(=O)OCCC.
What is the InChIKey of dipropyl oxirane-2,3-dicarboxylate?
The InChIKey is HTBUGCBUXMHNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-3-5-13-9(11)7-8(15-7)10(12)14-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of dipropyl oxirane-2,3-dicarboxylate?
dipropyl oxirane-2,3-dicarboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl oxirane-2,3-dicarboxylate is sourced from PubChem (CID 58624990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).