4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one

C14H20O8 — CID 18702139

IUPAC4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC2(COC3COC(=O)O3)CCCCC2)O1
InChIInChI=1S/C14H20O8/c15-12-17-6-10(21-12)19-8-14(4-2-1-3-5-14)9-20-11-7-18-13(16)22-11/h10-11H,1-9H2
InChIKeyMVJOUROJJWPSSC-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.96
Rot. Bonds6

About 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one

4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one (PubChem CID 18702139) has the molecular formula C14H20O8 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one
PubChem CID18702139
Molecular FormulaC14H20O8
Molecular Weight316.31 g/mol
Exact Mass316.12
IUPAC Name4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC2(COC3COC(=O)O3)CCCCC2)O1
InChIInChI=1S/C14H20O8/c15-12-17-6-10(21-12)19-8-14(4-2-1-3-5-14)9-20-11-7-18-13(16)22-11/h10-11H,1-9H2
InChIKeyMVJOUROJJWPSSC-UHFFFAOYSA-N
XLogP1.96
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one?
The IUPAC name of 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one (CID 18702139) is 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one is O=C1OCC(OCC2(COC3COC(=O)O3)CCCCC2)O1.
What is the InChIKey of 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one?
The InChIKey is MVJOUROJJWPSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O8/c15-12-17-6-10(21-12)19-8-14(4-2-1-3-5-14)9-20-11-7-18-13(16)22-11/h10-11H,1-9H2.
What are the key properties of 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one?
4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one has a molecular weight of 316.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)oxymethyl]cyclohexyl]methoxy]-1,3-dioxolan-2-one is sourced from PubChem (CID 18702139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).