methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate

C10H16O4 — CID 11052629

IUPACmethyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
SMILESC=C[C@H]1OC(C)(C)O[C@@]1(C)C(=O)OC
InChIInChI=1S/C10H16O4/c1-6-7-10(4,8(11)12-5)14-9(2,3)13-7/h6-7H,1H2,2-5H3/t7-,10-/m1/s1
InChIKeyKWZXVZCVLIOFDT-GMSGAONNSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds2

About methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate

methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 11052629) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
PubChem CID11052629
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
SMILESC=C[C@H]1OC(C)(C)O[C@@]1(C)C(=O)OC
InChIInChI=1S/C10H16O4/c1-6-7-10(4,8(11)12-5)14-9(2,3)13-7/h6-7H,1H2,2-5H3/t7-,10-/m1/s1
InChIKeyKWZXVZCVLIOFDT-GMSGAONNSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate with MolForge

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Related Compounds

Vlysfroiivaenj-rnfrbkrxsa-
CID 13846565
(4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
CID 15632545
(3As,7ar)-2,2-dimethyl-7ah-benzo[1,3]dioxole-3a-carboxylic acid methyl ester
CID 10584559
methyl (2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-2-prop-2-enyl-1,4-dioxane-2-carboxylate
CID 101271103
(4R,5R)-2,2-dimethyl-5-[(1E,3R)-3-methylhexa-1,5-dienyl]-1,3-dioxolane-4-carboxylic acid
CID 102220969
methyl (4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 134860171
methyl (2R,3S)-2,3-bis(ethenyl)-3-methoxyoxirane-2-carboxylate
CID 139247375
Methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10397529
(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 11401027
Methyl 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11745333
2,2-Dimethyl-5-vinyl-[1,3]dioxolane-4-carboxylic acid
CID 13550239
3-Acetoxy-2-allyloxy-pent-4-enoic acid ethyl ester
CID 57723933

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate (CID 11052629) is methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate is C=C[C@H]1OC(C)(C)O[C@@]1(C)C(=O)OC.
What is the InChIKey of methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is KWZXVZCVLIOFDT-GMSGAONNSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-7-10(4,8(11)12-5)14-9(2,3)13-7/h6-7H,1H2,2-5H3/t7-,10-/m1/s1.
What are the key properties of methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate?
methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 11052629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).