(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate

C8H8O5 — CID 141202995

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C8H8O5/c1-3-7(9)11-4-6-5(2)12-8(10)13-6/h3H,1,4H2,2H3
InChIKeyHVCBUGGTKOHEEO-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.77
Rot. Bonds3

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate (PubChem CID 141202995) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate
PubChem CID141202995
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C8H8O5/c1-3-7(9)11-4-6-5(2)12-8(10)13-6/h3H,1,4H2,2H3
InChIKeyHVCBUGGTKOHEEO-UHFFFAOYSA-N
XLogP0.77
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-4-oxobut-2-enoic acid
CID 122499741
4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one
CID 58840443
methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
CID 164575426
4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one
CID 118882291
(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 2,2-dimethyl-5-oxohexanoate
CID 162724784
1-O-[2-(2-methylidene-4-oxo-1H-pyrimidin-6-yl)ethyl] 4-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate
CID 122606168
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-aminocyclobutane-1-carboxylate
CID 156835465
4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
CID 10510878
ethyl prop-2-enoate;hydrochloride
CID 87359594
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methyl-2-propanoyloxypropanoate
CID 162724720

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate (CID 141202995) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate is C=CC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate?
The InChIKey is HVCBUGGTKOHEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-3-7(9)11-4-6-5(2)12-8(10)13-6/h3H,1,4H2,2H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate has a molecular weight of 184.15 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate is sourced from PubChem (CID 141202995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).