3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate

C12H24O2Si — CID 123182492

IUPAC3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)CC1C(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-12(2)9-10(12)11(13)14-7-6-8-15(3,4)5/h10H,6-9H2,1-5H3
InChIKeyBGKMHCCRRCZYGH-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.30
Rot. Bonds5

About 3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate

3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 123182492) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate
PubChem CID123182492
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)CC1C(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-12(2)9-10(12)11(13)14-7-6-8-15(3,4)5/h10H,6-9H2,1-5H3
InChIKeyBGKMHCCRRCZYGH-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of 3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate (CID 123182492) is 3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for 3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for 3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate is CC1(C)CC1C(=O)OCCC[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is BGKMHCCRRCZYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2)9-10(12)11(13)14-7-6-8-15(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate?
3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 228.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 123182492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).