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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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).