propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate

C19H34O3Si — CID 51051302

IUPACpropan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate
SMILESC=C(CCCC)[C@@H](C#CC(=O)OC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-10-11-12-16(4)17(13-14-18(20)21-15(2)3)22-23(8,9)19(5,6)7/h15,17H,4,10-12H2,1-3,5-9H3/t17-/m1/s1
InChIKeyFPDUCWXQNCTTKN-QGZVFWFLSA-N
MW338.56 g/mol
LogP5.08
Rot. Bonds7

About propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate

propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate (PubChem CID 51051302) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate.

Molecular Properties

Compound Namepropan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate
PubChem CID51051302
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Namepropan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate
SMILESC=C(CCCC)[C@@H](C#CC(=O)OC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-10-11-12-16(4)17(13-14-18(20)21-15(2)3)22-23(8,9)19(5,6)7/h15,17H,4,10-12H2,1-3,5-9H3/t17-/m1/s1
InChIKeyFPDUCWXQNCTTKN-QGZVFWFLSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-1-en-5-yn-4-yl] but-2-ynoate
CID 134834140
Propan-2-yl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-enoate
CID 141701184
ethyl (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-ynoate
CID 10950270
Ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate
CID 11015277
[3-Methylidene-1-tri(propan-2-yl)silyloxyundec-4-yn-6-yl] acetate
CID 11618142
2-(Trimethylsilylmethyl)dodec-1-en-5-yl acetate
CID 12841784
[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-4-yl] acetate
CID 16085095
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate
CID 72197577
Ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate
CID 102362687

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate?
The IUPAC name of propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate (CID 51051302) is propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate.
What is the SMILES notation for propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate?
The canonical SMILES for propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate is C=C(CCCC)[C@@H](C#CC(=O)OC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate?
The InChIKey is FPDUCWXQNCTTKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-10-11-12-16(4)17(13-14-18(20)21-15(2)3)22-23(8,9)19(5,6)7/h15,17H,4,10-12H2,1-3,5-9H3/t17-/m1/s1.
What are the key properties of propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate?
propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate has a molecular weight of 338.56 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenenon-2-ynoate is sourced from PubChem (CID 51051302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).