4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one

C7H10O5 — CID 13170397

IUPAC4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC2CO2)O1
InChIInChI=1S/C7H10O5/c8-7-11-4-6(12-7)2-9-1-5-3-10-5/h5-6H,1-4H2
InChIKeyCTBUGFRHKICZEB-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.06
Rot. Bonds4

About 4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one

4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one (PubChem CID 13170397) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
PubChem CID13170397
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC2CO2)O1
InChIInChI=1S/C7H10O5/c8-7-11-4-6(12-7)2-9-1-5-3-10-5/h5-6H,1-4H2
InChIKeyCTBUGFRHKICZEB-UHFFFAOYSA-N
XLogP-0.06
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.06
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

carbon dioxide;2-[[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane;bis(4-[[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-2,2-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]propoxy]methyl]-1,3-dioxolan-2-one)
CID 160740961
(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one
CID 124674242
4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one
CID 139535336
4-(3,3,4,4,5,5,5-heptafluoropentoxymethyl)-1,3-dioxolan-2-one
CID 138625430
4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one
CID 130415422
4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one
CID 154528659
4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one
CID 18702135
carbon dioxide;4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one;2-(2-propylheptoxymethyl)oxirane
CID 158637776
(4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one
CID 97104260
4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one
CID 144608908
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione
CID 174688773

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one (CID 13170397) is 4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one is O=C1OCC(COCC2CO2)O1.
What is the InChIKey of 4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is CTBUGFRHKICZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c8-7-11-4-6(12-7)2-9-1-5-3-10-5/h5-6H,1-4H2.
What are the key properties of 4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one?
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 174.15 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 13170397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).