prop-2-ynyl 2-trimethylsilylprop-2-enoate

C9H14O2Si — CID 166451708

IUPACprop-2-ynyl 2-trimethylsilylprop-2-enoate
SMILESC#CCOC(=O)C(=C)[Si](C)(C)C
InChIInChI=1S/C9H14O2Si/c1-6-7-11-9(10)8(2)12(3,4)5/h1H,2,7H2,3-5H3
InChIKeyRWKYKTCFYNWQMM-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.60
Rot. Bonds3

About prop-2-ynyl 2-trimethylsilylprop-2-enoate

prop-2-ynyl 2-trimethylsilylprop-2-enoate (PubChem CID 166451708) has the molecular formula C9H14O2Si and a molecular weight of 182.29 g/mol. Its IUPAC name is prop-2-ynyl 2-trimethylsilylprop-2-enoate.

Molecular Properties

Compound Nameprop-2-ynyl 2-trimethylsilylprop-2-enoate
PubChem CID166451708
Molecular FormulaC9H14O2Si
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Nameprop-2-ynyl 2-trimethylsilylprop-2-enoate
SMILESC#CCOC(=O)C(=C)[Si](C)(C)C
InChIInChI=1S/C9H14O2Si/c1-6-7-11-9(10)8(2)12(3,4)5/h1H,2,7H2,3-5H3
InChIKeyRWKYKTCFYNWQMM-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-ynoxyprop-1-ene
CID 15853200
dodecyl 2-trimethylsilylprop-2-enoate
CID 139634239
2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 19937714
prop-2-ynyl 2-(diethylamino)-2-oxoacetate
CID 139567550
benzyl 2-trimethylsilylprop-2-enoate
CID 14946722
prop-2-ynyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 87164719
2-trimethylsilylprop-2-enamide
CID 10351809
bis(prop-2-ynyl) 2-methoxypropanedioate
CID 88550340
prop-2-ynyl N-prop-2-ynoxycarbonylcarbamate
CID 13314992
ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate
CID 19876462
bis(prop-2-ynyl) 2-fluoro-2-methylpropanedioate
CID 130209955
prop-2-ynyl 2,2-dichloropropanoate
CID 131201308

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-trimethylsilylprop-2-enoate?
The IUPAC name of prop-2-ynyl 2-trimethylsilylprop-2-enoate (CID 166451708) is prop-2-ynyl 2-trimethylsilylprop-2-enoate.
What is the SMILES notation for prop-2-ynyl 2-trimethylsilylprop-2-enoate?
The canonical SMILES for prop-2-ynyl 2-trimethylsilylprop-2-enoate is C#CCOC(=O)C(=C)[Si](C)(C)C.
What is the InChIKey of prop-2-ynyl 2-trimethylsilylprop-2-enoate?
The InChIKey is RWKYKTCFYNWQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2Si/c1-6-7-11-9(10)8(2)12(3,4)5/h1H,2,7H2,3-5H3.
What are the key properties of prop-2-ynyl 2-trimethylsilylprop-2-enoate?
prop-2-ynyl 2-trimethylsilylprop-2-enoate has a molecular weight of 182.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-trimethylsilylprop-2-enoate is sourced from PubChem (CID 166451708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).