methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate

C14H30O2Si3 — CID 15932823

IUPACmethyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate
SMILESCOC(=O)C1([Si](C)(C)C)C([Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C14H30O2Si3/c1-16-13(15)14(19(8,9)10)11(17(2,3)4)12(14)18(5,6)7/h1-10H3
InChIKeyWLAMFCDRLONEHR-UHFFFAOYSA-N
MW314.65 g/mol
LogP4.30
Rot. Bonds4

About methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate

methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate (PubChem CID 15932823) has the molecular formula C14H30O2Si3 and a molecular weight of 314.65 g/mol. Its IUPAC name is methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate
PubChem CID15932823
Molecular FormulaC14H30O2Si3
Molecular Weight314.65 g/mol
Exact Mass314.16
IUPAC Namemethyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate
SMILESCOC(=O)C1([Si](C)(C)C)C([Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C14H30O2Si3/c1-16-13(15)14(19(8,9)10)11(17(2,3)4)12(14)18(5,6)7/h1-10H3
InChIKeyWLAMFCDRLONEHR-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.65
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride
CID 15932826
dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate
CID 24754702
dimethyl (2S)-2-chloroazirine-2,3-dicarboxylate
CID 5324927
methyl 3-methyloxaziridine-3-carboxylate
CID 54398424
methyl 3-fluorodiazirine-3-carboxylate
CID 101357816
dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
CID 11558617
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
methyl 3-ethyl-2,3-dimethyloxirane-2-carboxylate
CID 12916411
methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
CID 544674
dimethyl (3aS,6aR)-2,2-dimethyl-4-oxo-6H-furo[3,4-d][1,3]dioxole-3a,6a-dicarboxylate
CID 139039810
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate?
The IUPAC name of methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate (CID 15932823) is methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate.
What is the SMILES notation for methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate?
The canonical SMILES for methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate is COC(=O)C1([Si](C)(C)C)C([Si](C)(C)C)=C1[Si](C)(C)C.
What is the InChIKey of methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate?
The InChIKey is WLAMFCDRLONEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si3/c1-16-13(15)14(19(8,9)10)11(17(2,3)4)12(14)18(5,6)7/h1-10H3.
What are the key properties of methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate?
methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate has a molecular weight of 314.65 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 15932823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).