methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate

C13H20O4 — CID 5371545

IUPACmethyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate
SMILESC=C(C)CC(/C=C1/COC(C)(C)O1)C(=O)OC
InChIInChI=1S/C13H20O4/c1-9(2)6-10(12(14)15-5)7-11-8-16-13(3,4)17-11/h7,10H,1,6,8H2,2-5H3/b11-7-
InChIKeyVEWBTWJSBMDPMT-XFFZJAGNSA-N
MW240.30 g/mol
LogP2.41
Rot. Bonds4

About methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate

methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate (PubChem CID 5371545) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate
PubChem CID5371545
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Namemethyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate
SMILESC=C(C)CC(/C=C1/COC(C)(C)O1)C(=O)OC
InChIInChI=1S/C13H20O4/c1-9(2)6-10(12(14)15-5)7-11-8-16-13(3,4)17-11/h7,10H,1,6,8H2,2-5H3/b11-7-
InChIKeyVEWBTWJSBMDPMT-XFFZJAGNSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate with MolForge

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Related Compounds

[3-Methoxy-2-(3-methyl-4-oxopent-1-en-2-yl)-5-oxofuran-2-yl] acetate
CID 57218398
(E,2S)-7-[(2R)-3-methoxy-4-methyl-5-oxo-2H-furan-2-yl]-2,6-dimethylhept-5-enal
CID 44138459
methyl (2Z)-2-[2,5-bis(2-methylpropyl)-1,3-dioxolan-4-ylidene]acetate
CID 101153861
methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate
CID 14686723
(E,2S)-7-(3-methoxy-4-methyl-5-oxo-2H-furan-2-yl)-2,6-dimethylhept-5-enal
CID 25217802
(E)-7-(3-methoxy-4-methyl-5-oxo-2H-furan-2-yl)-2,6-dimethylhept-5-enal
CID 25217803
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate
CID 57315009
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (E)-2-propylpent-2-enoate
CID 67895035
ethyl (4Z)-2-(2-methylpropyl)-4-(2-methylpropylidene)-5-oxo-1,3-dioxolane-2-carboxylate
CID 155207431
[(Z)-2-(4-methylpentoxy)hex-2-enoxy]methyl acetate
CID 166905268
methyl (E)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoate
CID 10398884
dimethyl 2-[(Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylbut-3-enyl]propanedioate
CID 11087890

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate?
The IUPAC name of methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate (CID 5371545) is methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate.
What is the SMILES notation for methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate?
The canonical SMILES for methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate is C=C(C)CC(/C=C1/COC(C)(C)O1)C(=O)OC.
What is the InChIKey of methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate?
The InChIKey is VEWBTWJSBMDPMT-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H20O4/c1-9(2)6-10(12(14)15-5)7-11-8-16-13(3,4)17-11/h7,10H,1,6,8H2,2-5H3/b11-7-.
What are the key properties of methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate?
methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl]-4-methylpent-4-enoate is sourced from PubChem (CID 5371545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).