1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride

C13H27ClOSi3 — CID 15932826

IUPAC1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)C1(C(=O)Cl)[Si](C)(C)C
InChIInChI=1S/C13H27ClOSi3/c1-16(2,3)10-11(17(4,5)6)13(10,12(14)15)18(7,8)9/h1-9H3
InChIKeyAQAGTKYXOHEJEP-UHFFFAOYSA-N
MW319.07 g/mol
LogP4.90
Rot. Bonds4

About 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride

1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride (PubChem CID 15932826) has the molecular formula C13H27ClOSi3 and a molecular weight of 319.07 g/mol. Its IUPAC name is 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride.

Molecular Properties

Compound Name1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride
PubChem CID15932826
Molecular FormulaC13H27ClOSi3
Molecular Weight319.07 g/mol
Exact Mass318.11
IUPAC Name1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)C1(C(=O)Cl)[Si](C)(C)C
InChIInChI=1S/C13H27ClOSi3/c1-16(2,3)10-11(17(4,5)6)13(10,12(14)15)18(7,8)9/h1-9H3
InChIKeyAQAGTKYXOHEJEP-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.07
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride?
The IUPAC name of 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride (CID 15932826) is 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride.
What is the SMILES notation for 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride?
The canonical SMILES for 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride is C[Si](C)(C)C1=C([Si](C)(C)C)C1(C(=O)Cl)[Si](C)(C)C.
What is the InChIKey of 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride?
The InChIKey is AQAGTKYXOHEJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27ClOSi3/c1-16(2,3)10-11(17(4,5)6)13(10,12(14)15)18(7,8)9/h1-9H3.
What are the key properties of 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride?
1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride has a molecular weight of 319.07 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carbonyl chloride is sourced from PubChem (CID 15932826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).