methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate

C11H18O2Si — CID 544130

IUPACmethyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC#C[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-13-11(12)10-8-9(10)6-5-7-14(2,3)4/h9-10H,6,8H2,1-4H3
InChIKeyNCZLKTCCTMARFJ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.07
Rot. Bonds2

About methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate

methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate (PubChem CID 544130) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate
PubChem CID544130
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Namemethyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC#C[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-13-11(12)10-8-9(10)6-5-7-14(2,3)4/h9-10H,6,8H2,1-4H3
InChIKeyNCZLKTCCTMARFJ-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-methyl-2-(trimethylsilylethynyl)cyclopropanecarboxylate
CID 547894
Methyl 4-(trimethylsilylmethyl)hexanoate
CID 14712721
methyl (3R)-3-[tert-butyl(dimethyl)silyl]cyclopentane-1-carboxylate
CID 154710973
methyl (3R)-3-trimethylsilylcyclopentane-1-carboxylate
CID 154716385
Cyclopropanecarboxylic acid,-2-trimethylsilylethynyl, methyl ester
CID 548087
Methyl 2,2-dimethyl-3-[(trimethylsilyl)ethynyl]cyclopropanecarboxylate
CID 552272
Methyl 2-(2-propynyl)cyclopropanecarboxylate
CID 556311
Methyl 2-methyl-1-[(trimethylsilyl)ethynyl]cyclopropanecarboxylate
CID 574868
cis-methyl (1R,2S)-2-prop-2-ynylcyclopropane-1-carboxylate
CID 21604235
2-Methyl-7-trimethylsilylhept-6-yneperoxoic acid
CID 53996661
ethyl (5S)-3,3,5-trimethyl-7-trimethylsilylhept-6-ynoate
CID 88892247
Methyl 2-(1,1-dimethylsilinan-3-yl)acetate
CID 139777853

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate (CID 544130) is methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate is COC(=O)C1CC1CC#C[Si](C)(C)C.
What is the InChIKey of methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate?
The InChIKey is NCZLKTCCTMARFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-13-11(12)10-8-9(10)6-5-7-14(2,3)4/h9-10H,6,8H2,1-4H3.
What are the key properties of methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate?
methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate has a molecular weight of 210.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-trimethylsilylprop-2-ynyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 544130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).