[4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate

C14H16O10 — CID 134599720

IUPAC[4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OC2CCC(OC(=O)C3COC(=O)O3)CC2)O1
InChIInChI=1S/C14H16O10/c15-11(9-5-19-13(17)23-9)21-7-1-2-8(4-3-7)22-12(16)10-6-20-14(18)24-10/h7-10H,1-6H2
InChIKeyHFKSCUXGVLPNOW-UHFFFAOYSA-N
MW344.27 g/mol
LogP0.45
Rot. Bonds4

About [4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate

[4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599720) has the molecular formula C14H16O10 and a molecular weight of 344.27 g/mol. Its IUPAC name is [4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name[4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599720
Molecular FormulaC14H16O10
Molecular Weight344.27 g/mol
Exact Mass344.07
IUPAC Name[4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OC2CCC(OC(=O)C3COC(=O)O3)CC2)O1
InChIInChI=1S/C14H16O10/c15-11(9-5-19-13(17)23-9)21-7-1-2-8(4-3-7)22-12(16)10-6-20-14(18)24-10/h7-10H,1-6H2
InChIKeyHFKSCUXGVLPNOW-UHFFFAOYSA-N
XLogP0.45
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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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
3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599718
pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599610
(4-fluoro-2-methylphenyl) 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599656
(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599628
(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate
CID 67999025
cyclopropyl cyclopropanecarboxylate
CID 54407874
ethyl carbamate;4-methyl-1,3-dioxolan-2-one
CID 174599772
(2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate
CID 153224535
[4-(5-methyl-2-oxo-1,3-dioxane-5-carbonyl)oxycyclohexyl] 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 102303855
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

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of [4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate (CID 134599720) is [4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for [4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for [4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate is O=C1OCC(C(=O)OC2CCC(OC(=O)C3COC(=O)O3)CC2)O1.
What is the InChIKey of [4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is HFKSCUXGVLPNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O10/c15-11(9-5-19-13(17)23-9)21-7-1-2-8(4-3-7)22-12(16)10-6-20-14(18)24-10/h7-10H,1-6H2.
What are the key properties of [4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate?
[4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 344.27 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).