2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

C12H19ClO2Si — CID 13316395

IUPAC2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESC[Si](C)(C)C1=C(C2CC2)C1C(=O)OCCCl
InChIInChI=1S/C12H19ClO2Si/c1-16(2,3)11-9(8-4-5-8)10(11)12(14)15-7-6-13/h8,10H,4-7H2,1-3H3
InChIKeyXKVKMOXTVUCJPG-UHFFFAOYSA-N
MW258.82 g/mol
LogP2.98
Rot. Bonds5

About 2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 13316395) has the molecular formula C12H19ClO2Si and a molecular weight of 258.82 g/mol. Its IUPAC name is 2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Name2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID13316395
Molecular FormulaC12H19ClO2Si
Molecular Weight258.82 g/mol
Exact Mass258.08
IUPAC Name2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESC[Si](C)(C)C1=C(C2CC2)C1C(=O)OCCCl
InChIInChI=1S/C12H19ClO2Si/c1-16(2,3)11-9(8-4-5-8)10(11)12(14)15-7-6-13/h8,10H,4-7H2,1-3H3
InChIKeyXKVKMOXTVUCJPG-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of 2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 13316395) is 2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for 2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for 2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is C[Si](C)(C)C1=C(C2CC2)C1C(=O)OCCCl.
What is the InChIKey of 2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is XKVKMOXTVUCJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO2Si/c1-16(2,3)11-9(8-4-5-8)10(11)12(14)15-7-6-13/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate has a molecular weight of 258.82 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-cyclopropyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 13316395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).