methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate

C14H24O4Si — CID 135037934

IUPACmethyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate
SMILESC=C([C@@H]1COC(=O)[C@H]1C(=O)OC)[Si](CC)(CC)CC
InChIInChI=1S/C14H24O4Si/c1-6-19(7-2,8-3)10(4)11-9-18-14(16)12(11)13(15)17-5/h11-12H,4,6-9H2,1-3,5H3/t11-,12+/m0/s1
InChIKeySHDUOZHSHMDCAC-NWDGAFQWSA-N
MW284.43 g/mol
LogP2.55
Rot. Bonds6

About methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate

methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate (PubChem CID 135037934) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate
PubChem CID135037934
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Namemethyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate
SMILESC=C([C@@H]1COC(=O)[C@H]1C(=O)OC)[Si](CC)(CC)CC
InChIInChI=1S/C14H24O4Si/c1-6-19(7-2,8-3)10(4)11-9-18-14(16)12(11)13(15)17-5/h11-12H,4,6-9H2,1-3,5H3/t11-,12+/m0/s1
InChIKeySHDUOZHSHMDCAC-NWDGAFQWSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate?
The IUPAC name of methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate (CID 135037934) is methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate.
What is the SMILES notation for methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate?
The canonical SMILES for methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate is C=C([C@@H]1COC(=O)[C@H]1C(=O)OC)[Si](CC)(CC)CC.
What is the InChIKey of methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate?
The InChIKey is SHDUOZHSHMDCAC-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-6-19(7-2,8-3)10(4)11-9-18-14(16)12(11)13(15)17-5/h11-12H,4,6-9H2,1-3,5H3/t11-,12+/m0/s1.
What are the key properties of methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate?
methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate has a molecular weight of 284.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate is sourced from PubChem (CID 135037934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).