4-(methoxymethyl)-1,3-dioxol-2-one

C5H6O4 — CID 20537317

IUPAC4-(methoxymethyl)-1,3-dioxol-2-one
SMILESCOCc1coc(=O)o1
InChIInChI=1S/C5H6O4/c1-7-2-4-3-8-5(6)9-4/h3H,2H2,1H3
InChIKeyPGKAQQFEGSTFNL-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.38
Rot. Bonds2

About 4-(methoxymethyl)-1,3-dioxol-2-one

4-(methoxymethyl)-1,3-dioxol-2-one (PubChem CID 20537317) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 4-(methoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(methoxymethyl)-1,3-dioxol-2-one
PubChem CID20537317
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name4-(methoxymethyl)-1,3-dioxol-2-one
SMILESCOCc1coc(=O)o1
InChIInChI=1S/C5H6O4/c1-7-2-4-3-8-5(6)9-4/h3H,2H2,1H3
InChIKeyPGKAQQFEGSTFNL-UHFFFAOYSA-N
XLogP0.38
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methylene-1,3-dioxolan-2-one
CID 13157020
2,2-Dimethoxy-4-methylene-1,3-dioxolane
CID 21677531
Ethylidene ethylene carbonate
CID 68503227
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxol-2-one
CID 139390777
4-(1,1,2,2-Tetrafluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312354
4-(3,3,3-Trifluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312367
4-(2,2-Difluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312370
4-(Difluoromethoxymethyl)-1,3-dioxol-2-one
CID 153312380
4-[(4-Fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one
CID 170152528
(4E)-4-[[(E)-prop-1-enoxy]methylidene]-1,3-dioxolan-2-one
CID 17773906
(4E)-4-ethylidene-1,3-dioxolan-2-one
CID 19050566
(2-Oxo-1,3-dioxol-4-yl)methyl formate
CID 19759602

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(methoxymethyl)-1,3-dioxol-2-one (CID 20537317) is 4-(methoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(methoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(methoxymethyl)-1,3-dioxol-2-one is COCc1coc(=O)o1.
What is the InChIKey of 4-(methoxymethyl)-1,3-dioxol-2-one?
The InChIKey is PGKAQQFEGSTFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-7-2-4-3-8-5(6)9-4/h3H,2H2,1H3.
What are the key properties of 4-(methoxymethyl)-1,3-dioxol-2-one?
4-(methoxymethyl)-1,3-dioxol-2-one has a molecular weight of 130.10 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 20537317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).