methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate

C16H28O3Si — CID 164683949

IUPACmethyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate
SMILESC=CC/C(=C1/COC[C@]1(CCC)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C16H28O3Si/c1-7-9-14(20(4,5)6)13-11-19-12-16(13,10-8-2)15(17)18-3/h7H,1,8-12H2,2-6H3/b14-13+/t16-/m0/s1
InChIKeyGPYALQZMRMQPBV-VUSFMPOISA-N
MW296.48 g/mol
LogP3.73
Rot. Bonds6

About methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate

methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate (PubChem CID 164683949) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate
PubChem CID164683949
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Namemethyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate
SMILESC=CC/C(=C1/COC[C@]1(CCC)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C16H28O3Si/c1-7-9-14(20(4,5)6)13-11-19-12-16(13,10-8-2)15(17)18-3/h7H,1,8-12H2,2-6H3/b14-13+/t16-/m0/s1
InChIKeyGPYALQZMRMQPBV-VUSFMPOISA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (4Z)-3-propyl-4-(trimethylsilylmethylidene)oxolane-3-carboxylate
CID 25138500
methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate
CID 134858476
(3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3a,7a-dimethyl-4,7-dihydro-3H-2-benzofuran-1-one
CID 10308379
(3aS,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-3a,7a-dimethyl-4,7-dihydro-3H-2-benzofuran-1-one
CID 58681992
methyl (1S,2S,5S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-7-oxo-6-oxabicyclo[3.2.1]oct-3-ene-8-carboxylate
CID 101487465
dimethyl 2-[(E,4R)-4-acetyloxy-4-[tert-butyl(dimethyl)silyl]but-2-enyl]-2-but-3-enylpropanedioate
CID 102076883
dimethyl 2-[(E,4R)-4-acetyloxy-4-[tert-butyl(dimethyl)silyl]but-2-enyl]-2-pent-4-enylpropanedioate
CID 102076884
methyl (4Z)-3-propyl-4-propylideneoxolane-3-carboxylate
CID 102235100
methyl (4E)-3-propyl-4-propylideneoxolane-3-carboxylate
CID 102235103
Dimethyl 2-(acetyloxymethyl)cyclopent-2-ene-1,1-dicarboxylate
CID 121002852

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate?
The IUPAC name of methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate (CID 164683949) is methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate.
What is the SMILES notation for methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate?
The canonical SMILES for methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate is C=CC/C(=C1/COC[C@]1(CCC)C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate?
The InChIKey is GPYALQZMRMQPBV-VUSFMPOISA-N. The full InChI is InChI=1S/C16H28O3Si/c1-7-9-14(20(4,5)6)13-11-19-12-16(13,10-8-2)15(17)18-3/h7H,1,8-12H2,2-6H3/b14-13+/t16-/m0/s1.
What are the key properties of methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate?
methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate has a molecular weight of 296.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4Z)-3-propyl-4-(1-trimethylsilylbut-3-enylidene)oxolane-3-carboxylate is sourced from PubChem (CID 164683949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).