methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate

C12H22O3Si — CID 10633949

IUPACmethyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate
SMILESCCO[C@H]1C(C(=O)OC)=C([Si](C)(C)C)[C@H]1C
InChIInChI=1S/C12H22O3Si/c1-7-15-10-8(2)11(16(4,5)6)9(10)12(13)14-3/h8,10H,7H2,1-6H3/t8-,10+/m0/s1
InChIKeyNTLVMCLDIMFHIQ-WCBMZHEXSA-N
MW242.39 g/mol
LogP2.39
Rot. Bonds4

About methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate

methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate (PubChem CID 10633949) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate
PubChem CID10633949
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Namemethyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate
SMILESCCO[C@H]1C(C(=O)OC)=C([Si](C)(C)C)[C@H]1C
InChIInChI=1S/C12H22O3Si/c1-7-15-10-8(2)11(16(4,5)6)9(10)12(13)14-3/h8,10H,7H2,1-6H3/t8-,10+/m0/s1
InChIKeyNTLVMCLDIMFHIQ-WCBMZHEXSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate
CID 10655088
Methyl 2-methoxy-5-oxo-2-propan-2-yl-4-trimethylsilylfuran-3-carboxylate
CID 10660893
(3S,4S)-3-methyl-4-[(Z)-5-trimethylsilylpent-2-en-4-yn-2-yl]oxetan-2-one
CID 56590135
(3S,4S)-3-methyl-4-[(E)-5-trimethylsilylpent-2-en-4-yn-2-yl]oxetan-2-one
CID 71480792
(3R,4R)-3-methyl-4-[(Z)-5-trimethylsilylpent-2-en-4-yn-2-yl]oxetan-2-one
CID 71480888

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate?
The IUPAC name of methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate (CID 10633949) is methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate.
What is the SMILES notation for methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate?
The canonical SMILES for methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate is CCO[C@H]1C(C(=O)OC)=C([Si](C)(C)C)[C@H]1C.
What is the InChIKey of methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate?
The InChIKey is NTLVMCLDIMFHIQ-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-7-15-10-8(2)11(16(4,5)6)9(10)12(13)14-3/h8,10H,7H2,1-6H3/t8-,10+/m0/s1.
What are the key properties of methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate?
methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate has a molecular weight of 242.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-4-ethoxy-3-methyl-2-trimethylsilylcyclobutene-1-carboxylate is sourced from PubChem (CID 10633949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).