methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

C11H20O2Si — CID 552557

IUPACmethyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCCC1=C([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C11H20O2Si/c1-6-7-8-9(11(12)13-2)10(8)14(3,4)5/h9H,6-7H2,1-5H3
InChIKeyQLSCTYFNENGEKL-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.76
Rot. Bonds4

About methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 552557) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID552557
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Namemethyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCCC1=C([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C11H20O2Si/c1-6-7-8-9(11(12)13-2)10(8)14(3,4)5/h9H,6-7H2,1-5H3
InChIKeyQLSCTYFNENGEKL-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-trimethylsilylmethyl-3-cyclohexenecarboxylate
CID 10537258
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
Methyl 1-trimethylsilyl-2-cyclopropylcyclopropene-3-carboxylate
CID 12749201
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
Ethyl 1,2-diethyl-3-trimethylsilylcycloprop-1-ene-3-carboxylate
CID 129777072
Cyclopentanecarboxylic acid, 3-isopropylidene-4-trimethylsilyl-, methyl ester
CID 552313
Methyl 2-allyl-3-(trimethylsilyl)-2-cyclopropene-1-carboxylate
CID 552552
Methyl 1-trimethylsilyl-2-pentyl-cyclopropene-3-carboxylate
CID 552559
Methyl 1-trimethylsilyl-2-butyl-cyclopropene-3-carboxylate
CID 552560
3-Cyclopentene-R1-carboxylic acid, trans-2,4-dimethyl-3-trimethylsilyl-, methyl ester
CID 552613
Cyclopropenoic acid,-2(2-propenyl),-3-trimethylsilyl, methyl ester
CID 560702
Methyl 1-trimethylsilyl-2-ethyl-cyclopropene-3-carboxylate
CID 565001

Frequently Asked Questions

What is the IUPAC name of methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 552557) is methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is CCCC1=C([Si](C)(C)C)C1C(=O)OC.
What is the InChIKey of methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is QLSCTYFNENGEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-6-7-8-9(11(12)13-2)10(8)14(3,4)5/h9H,6-7H2,1-5H3.
What are the key properties of methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate has a molecular weight of 212.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 552557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).