ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate

C14H26O3Si — CID 125493476

IUPACethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate
SMILESC#CC[C@](C)(O[Si](CC)(CC)CC)C(=O)OCC
InChIInChI=1S/C14H26O3Si/c1-7-12-14(6,13(15)16-8-2)17-18(9-3,10-4)11-5/h1H,8-12H2,2-6H3/t14-/m0/s1
InChIKeyXYDWDWKUHUFWPR-AWEZNQCLSA-N
MW270.44 g/mol
LogP3.35
Rot. Bonds8

About ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate

ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate (PubChem CID 125493476) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate.

Molecular Properties

Compound Nameethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate
PubChem CID125493476
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nameethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate
SMILESC#CC[C@](C)(O[Si](CC)(CC)CC)C(=O)OCC
InChIInChI=1S/C14H26O3Si/c1-7-12-14(6,13(15)16-8-2)17-18(9-3,10-4)11-5/h1H,8-12H2,2-6H3/t14-/m0/s1
InChIKeyXYDWDWKUHUFWPR-AWEZNQCLSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(E,4S)-3,4-dimethyl-4-triethylsilyloxyhept-2-en-6-ynal
CID 125486851
diethyl 2-butyl-2-prop-2-ynylpropanedioate
CID 12020975
diethyl 2-(2-methylpropyl)-2-prop-2-ynylpropanedioate
CID 103972782
ethyl 2-nitro-2-prop-2-ynylpent-4-ynoate
CID 125471979
diethyl 2-(2-chloroprop-2-enyl)-2-prop-2-ynylpropanedioate
CID 11807846
[(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate
CID 58593349
ethyl 2-ethoxy-2-methylbutanoate
CID 21285842
diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989242
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2,3-dimethyl-2-(prop-2-ynylamino)butanoate
CID 62487244
tetraethyl dodeca-1,11-diyne-5,5,6,6-tetracarboxylate
CID 10972404
diethyl 2-but-3-ynyl-2-ethylpropanedioate
CID 103972995

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate?
The IUPAC name of ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate (CID 125493476) is ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate.
What is the SMILES notation for ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate?
The canonical SMILES for ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate is C#CC[C@](C)(O[Si](CC)(CC)CC)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate?
The InChIKey is XYDWDWKUHUFWPR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-7-12-14(6,13(15)16-8-2)17-18(9-3,10-4)11-5/h1H,8-12H2,2-6H3/t14-/m0/s1.
What are the key properties of ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate?
ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate has a molecular weight of 270.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-methyl-2-triethylsilyloxypent-4-ynoate is sourced from PubChem (CID 125493476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).