3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate

C12H14O10 — CID 134599718

IUPAC3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESCC(OC(=O)C1COC(=O)O1)C(C)OC(=O)C1COC(=O)O1
InChIInChI=1S/C12H14O10/c1-5(19-9(13)7-3-17-11(15)21-7)6(2)20-10(14)8-4-18-12(16)22-8/h5-8H,3-4H2,1-2H3
InChIKeyZKALTNNCZRQBFK-UHFFFAOYSA-N
MW318.23 g/mol
LogP-0.08
Rot. Bonds5

About 3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate

3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599718) has the molecular formula C12H14O10 and a molecular weight of 318.23 g/mol. Its IUPAC name is 3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599718
Molecular FormulaC12H14O10
Molecular Weight318.23 g/mol
Exact Mass318.06
IUPAC Name3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESCC(OC(=O)C1COC(=O)O1)C(C)OC(=O)C1COC(=O)O1
InChIInChI=1S/C12H14O10/c1-5(19-9(13)7-3-17-11(15)21-7)6(2)20-10(14)8-4-18-12(16)22-8/h5-8H,3-4H2,1-2H3
InChIKeyZKALTNNCZRQBFK-UHFFFAOYSA-N
XLogP-0.08
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate with MolForge

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Related Compounds

iodo 2-oxo-1,3-dioxolane-4-carboxylate
CID 155049716
2-(2-oxo-1,3-dioxolane-4-carbonyl)oxyethyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 122643704
[4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599720
(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599628
2-hydroxyethyl 2-oxo-1,3-dioxolane-4-carboxylate;2-hydroxypropyl 2-oxo-1,3-dioxolane-4-carboxylate;2-methylbutyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 163596201
2-[2,3-bis[1-(2-oxo-1,3-dioxolane-4-carbonyl)oxypropan-2-yloxy]hexoxy]propyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 70640777
(4-fluoro-2-methylphenyl) 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599656
(2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate
CID 153224535
pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599610
[(2S)-1-amino-1-oxopropan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7861815
[(2R)-1-methoxy-1-oxopropan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 94774529
propan-2-yl oxirane-2-carboxylate
CID 87397503

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of 3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate (CID 134599718) is 3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for 3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for 3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate is CC(OC(=O)C1COC(=O)O1)C(C)OC(=O)C1COC(=O)O1.
What is the InChIKey of 3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is ZKALTNNCZRQBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O10/c1-5(19-9(13)7-3-17-11(15)21-7)6(2)20-10(14)8-4-18-12(16)22-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate?
3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 318.23 g/mol, XLogP of -0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).