3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate

C24H32O12 — CID 162145810

IUPAC3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate
SMILESC=C1OC(=O)OC1(C)CCCOC=O.C=CC(=O)OC.C=CC(=O)OCCCC1(C)OC(=O)OC1=C
InChIInChI=1S/C11H14O5.C9H12O5.C4H6O2/c1-4-9(12)14-7-5-6-11(3)8(2)15-10(13)16-11;1-7-9(2,14-8(11)13-7)4-3-5-12-6-10;1-3-4(5)6-2/h4H,1-2,5-7H2,3H3;6H,1,3-5H2,2H3;3H,1H2,2H3
InChIKeyZKNQOWPHBJIQIS-UHFFFAOYSA-N
MW512.51 g/mol
LogP3.66
Rot. Bonds11

About 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate

3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate (PubChem CID 162145810) has the molecular formula C24H32O12 and a molecular weight of 512.51 g/mol. Its IUPAC name is 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate.

Molecular Properties

Compound Name3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate
PubChem CID162145810
Molecular FormulaC24H32O12
Molecular Weight512.51 g/mol
Exact Mass512.19
IUPAC Name3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate
SMILESC=C1OC(=O)OC1(C)CCCOC=O.C=CC(=O)OC.C=CC(=O)OCCCC1(C)OC(=O)OC1=C
InChIInChI=1S/C11H14O5.C9H12O5.C4H6O2/c1-4-9(12)14-7-5-6-11(3)8(2)15-10(13)16-11;1-7-9(2,14-8(11)13-7)4-3-5-12-6-10;1-3-4(5)6-2/h4H,1-2,5-7H2,3H3;6H,1,3-5H2,2H3;3H,1H2,2H3
InChIKeyZKNQOWPHBJIQIS-UHFFFAOYSA-N
XLogP3.66
TPSA149.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate with MolForge

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Related Compounds

3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate
CID 138516686
docosyl prop-2-enoate;methyl prop-2-enoate;prop-2-enoic acid
CID 170852340
4-methoxybutyl prop-2-enoate
CID 22321356
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
butyl prop-2-enoate;methyl but-2-enoate
CID 87743393
bis(methyl prop-2-enoate);propane
CID 160610529
2-(2-hydroxyethoxy)ethanol;bis(methyl prop-2-enoate)
CID 160785980
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate?
The IUPAC name of 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate (CID 162145810) is 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate.
What is the SMILES notation for 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate?
The canonical SMILES for 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate is C=C1OC(=O)OC1(C)CCCOC=O.C=CC(=O)OC.C=CC(=O)OCCCC1(C)OC(=O)OC1=C.
What is the InChIKey of 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate?
The InChIKey is ZKNQOWPHBJIQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5.C9H12O5.C4H6O2/c1-4-9(12)14-7-5-6-11(3)8(2)15-10(13)16-11;1-7-9(2,14-8(11)13-7)4-3-5-12-6-10;1-3-4(5)6-2/h4H,1-2,5-7H2,3H3;6H,1,3-5H2,2H3;3H,1H2,2H3.
What are the key properties of 3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate?
3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate has a molecular weight of 512.51 g/mol, XLogP of 3.66, 11 rotatable bonds, 0 hydrogen bond donors, and 12 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 formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate is sourced from PubChem (CID 162145810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).