methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate

C14H28O3Si — CID 15480705

IUPACmethyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate
SMILESCOC(=O)C1(O[Si](C(C)C)(C(C)C)C(C)C)CC1
InChIInChI=1S/C14H28O3Si/c1-10(2)18(11(3)4,12(5)6)17-14(8-9-14)13(15)16-7/h10-12H,8-9H2,1-7H3
InChIKeyGKGFNEIHUOXMRH-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.88
Rot. Bonds6

About methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate

methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate (PubChem CID 15480705) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate
PubChem CID15480705
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namemethyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate
SMILESCOC(=O)C1(O[Si](C(C)C)(C(C)C)C(C)C)CC1
InChIInChI=1S/C14H28O3Si/c1-10(2)18(11(3)4,12(5)6)17-14(8-9-14)13(15)16-7/h10-12H,8-9H2,1-7H3
InChIKeyGKGFNEIHUOXMRH-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 1-tri(propan-2-yl)silyloxycyclopropane-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 methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate?
The IUPAC name of methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate (CID 15480705) is methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate is COC(=O)C1(O[Si](C(C)C)(C(C)C)C(C)C)CC1.
What is the InChIKey of methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate?
The InChIKey is GKGFNEIHUOXMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-10(2)18(11(3)4,12(5)6)17-14(8-9-14)13(15)16-7/h10-12H,8-9H2,1-7H3.
What are the key properties of methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate?
methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate has a molecular weight of 272.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-tri(propan-2-yl)silyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 15480705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).