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

C16H24O8 — CID 18702135

IUPAC4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC2(COCC3COC(=O)O3)CCCCC2)O1
InChIInChI=1S/C16H24O8/c17-14-21-8-12(23-14)6-19-10-16(4-2-1-3-5-16)11-20-7-13-9-22-15(18)24-13/h12-13H,1-11H2
InChIKeyNMHIQIKTOROTLD-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.04
Rot. Bonds8

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

4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one (PubChem CID 18702135) has the molecular formula C16H24O8 and a molecular weight of 344.36 g/mol. Its IUPAC name is 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one
PubChem CID18702135
Molecular FormulaC16H24O8
Molecular Weight344.36 g/mol
Exact Mass344.15
IUPAC Name4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC2(COCC3COC(=O)O3)CCCCC2)O1
InChIInChI=1S/C16H24O8/c17-14-21-8-12(23-14)6-19-10-16(4-2-1-3-5-16)11-20-7-13-9-22-15(18)24-13/h12-13H,1-11H2
InChIKeyNMHIQIKTOROTLD-UHFFFAOYSA-N
XLogP2.04
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.04
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)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one (CID 18702135) is 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one is O=C1OCC(COCC2(COCC3COC(=O)O3)CCCCC2)O1.
What is the InChIKey of 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one?
The InChIKey is NMHIQIKTOROTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O8/c17-14-21-8-12(23-14)6-19-10-16(4-2-1-3-5-16)11-20-7-13-9-22-15(18)24-13/h12-13H,1-11H2.
What are the key properties of 4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one?
4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one has a molecular weight of 344.36 g/mol, XLogP of 2.04, 8 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)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 18702135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).