3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate

C10H14O5 — CID 138516686

IUPAC3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate
SMILESC=C1OC(=O)OC1(C)CCCOC(C)=O
InChIInChI=1S/C10H14O5/c1-7-10(3,15-9(12)14-7)5-4-6-13-8(2)11/h1,4-6H2,2-3H3
InChIKeyJYMMLNDMGCFVCT-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.77
Rot. Bonds4

About 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate

3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate (PubChem CID 138516686) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate.

Molecular Properties

Compound Name3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate
PubChem CID138516686
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate
SMILESC=C1OC(=O)OC1(C)CCCOC(C)=O
InChIInChI=1S/C10H14O5/c1-7-10(3,15-9(12)14-7)5-4-6-13-8(2)11/h1,4-6H2,2-3H3
InChIKeyJYMMLNDMGCFVCT-UHFFFAOYSA-N
XLogP1.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

11-acetyloxyundecyl acetate
CID 87784419
4-acetyloxybutanoic acid;3,3-dimethylaziridin-2-one
CID 138698588
3-[acetyloxy(dimethyl)silyl]propyl acetate
CID 18787770
[(4S)-4-[(1aR,2aR,5aS,6S,6aS)-6-hydroxy-1a-methyl-5-methylidene-4-oxo-2,2a,5a,6-tetrahydrooxireno[2,3-f][1]benzofuran-6a-yl]pentyl] acetate
CID 164622494
3-[(1R,2S,6R,7R,8R)-8-acetyloxy-2,3,7-trimethyl-12-oxo-11-oxatricyclo[5.3.2.01,6]dodecan-2-yl]propyl acetate
CID 135038537
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
14-(4-methyl-2,5-dioxofuran-3-yl)tetradecyl acetate
CID 170990166
CID 159328585
CID 159328585
CID 87429945
CID 87429945
CID 159701402
CID 159701402
2-(1-methylcyclopropyl)ethyl acetate
CID 126994402
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate?
The IUPAC name of 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate (CID 138516686) is 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate.
What is the SMILES notation for 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate?
The canonical SMILES for 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate is C=C1OC(=O)OC1(C)CCCOC(C)=O.
What is the InChIKey of 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate?
The InChIKey is JYMMLNDMGCFVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-7-10(3,15-9(12)14-7)5-4-6-13-8(2)11/h1,4-6H2,2-3H3.
What are the key properties of 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate?
3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate has a molecular weight of 214.22 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate is sourced from PubChem (CID 138516686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).