methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate

C9H14O4 — CID 10397529

IUPACmethyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESC=CC1(C(=O)OC)COC(C)(C)O1
InChIInChI=1S/C9H14O4/c1-5-9(7(10)11-4)6-12-8(2,3)13-9/h5H,1,6H2,2-4H3
InChIKeyVIFSYCAGTPDLGQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.87
Rot. Bonds2

About methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate

methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 10397529) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID10397529
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Namemethyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESC=CC1(C(=O)OC)COC(C)(C)O1
InChIInChI=1S/C9H14O4/c1-5-9(7(10)11-4)6-12-8(2,3)13-9/h5H,1,6H2,2-4H3
InChIKeyVIFSYCAGTPDLGQ-UHFFFAOYSA-N
XLogP0.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.87
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

Vlysfroiivaenj-rnfrbkrxsa-
CID 13846565
Ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate
CID 10798090
(4R)-4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 49837106
methyl (4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 134860171
ethyl (4S)-2,2-dimethyl-5-(oxomethylidene)-1,3-dioxolane-4-carboxylate
CID 135038220
Methyl 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11745333
2-Vinyl-[1,4]dioxane-2-carboxylic acid methyl ester
CID 86706068
But-3-enyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599603
3-(1-Ethoxyethoxy)-3-methylfuran-2-one
CID 140344433
methyl (4R)-2,2-dimethyl-5-propa-1,2-dienyl-1,3-dioxolane-4-carboxylate
CID 142218799
Diethyl 2-(3-oxopropa-1,2-dienoxy)-2-(3-oxopropa-1,2-dienyl)propanedioate
CID 145778091
sodium (5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 157534399

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 10397529) is methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate is C=CC1(C(=O)OC)COC(C)(C)O1.
What is the InChIKey of methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is VIFSYCAGTPDLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-5-9(7(10)11-4)6-12-8(2,3)13-9/h5H,1,6H2,2-4H3.
What are the key properties of methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 10397529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).