ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one

C9H14O4 — CID 154678106

IUPACethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESC=C.CCOCc1oc(=O)oc1C
InChIInChI=1S/C7H10O4.C2H4/c1-3-9-4-6-5(2)10-7(8)11-6;1-2/h3-4H2,1-2H3;1-2H2
InChIKeyNFZRKTRDUPPEDL-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.88
Rot. Bonds3

About ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one

ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one (PubChem CID 154678106) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Nameethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one
PubChem CID154678106
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Nameethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESC=C.CCOCc1oc(=O)oc1C
InChIInChI=1S/C7H10O4.C2H4/c1-3-9-4-6-5(2)10-7(8)11-6;1-2/h3-4H2,1-2H3;1-2H2
InChIKeyNFZRKTRDUPPEDL-UHFFFAOYSA-N
XLogP1.88
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-[[(E)-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]but-2-enoxy]methyl]-1,3-dioxol-2-one
CID 138517728
4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one
CID 58840443
4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one
CID 118882291
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate
CID 141202995
4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
CID 10510878
methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
CID 164575426
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2S,3S)-2,3-dimethylpentanoate
CID 174159130
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pentanoate
CID 59107308
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-bromoacetate
CID 170649836
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate
CID 70670865
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-aminoethylsulfanylformate;hydrochloride
CID 129046033
(E)-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-4-oxobut-2-enoic acid
CID 122499741

Frequently Asked Questions

What is the IUPAC name of ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one?
The IUPAC name of ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one (CID 154678106) is ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one.
What is the SMILES notation for ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one?
The canonical SMILES for ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one is C=C.CCOCc1oc(=O)oc1C.
What is the InChIKey of ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one?
The InChIKey is NFZRKTRDUPPEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4.C2H4/c1-3-9-4-6-5(2)10-7(8)11-6;1-2/h3-4H2,1-2H3;1-2H2.
What are the key properties of ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one?
ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 154678106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).