[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate

C15H30O3Si — CID 134870694

IUPAC[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate
SMILESC=C[C@H](OC(=O)CC)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-9-13(18-14(16)10-2)12(3)11-17-19(7,8)15(4,5)6/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m0/s1
InChIKeyUHWNECYFGLYQNW-STQMWFEESA-N
MW286.49 g/mol
LogP4.15
Rot. Bonds7

About [(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate

[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate (PubChem CID 134870694) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate.

Molecular Properties

Compound Name[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate
PubChem CID134870694
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate
SMILESC=C[C@H](OC(=O)CC)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-9-13(18-14(16)10-2)12(3)11-17-19(7,8)15(4,5)6/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m0/s1
InChIKeyUHWNECYFGLYQNW-STQMWFEESA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.15
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'}

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Related Compounds

[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
2-(Trimethylsilylmethyl)penta-1,4-dien-3-yl acetate
CID 60203737
[(Z)-5-methoxy-1-triethylsilylpent-1-en-3-yl] acetate
CID 134964945
[(Z)-1-trimethylsilylpent-1-en-3-yl] acetate
CID 135049407
Ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 138976074
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl] prop-2-enoate
CID 145945198
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
CID 11380641
[(3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 16726241
[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate
CID 56925503
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361
Tert-butyl 3-[(tert-butyldimethylsilyl)oxy]pent-4-enoate
CID 14926561
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate?
The IUPAC name of [(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate (CID 134870694) is [(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate.
What is the SMILES notation for [(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate?
The canonical SMILES for [(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate is C=C[C@H](OC(=O)CC)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate?
The InChIKey is UHWNECYFGLYQNW-STQMWFEESA-N. The full InChI is InChI=1S/C15H30O3Si/c1-9-13(18-14(16)10-2)12(3)11-17-19(7,8)15(4,5)6/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m0/s1.
What are the key properties of [(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate?
[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate has a molecular weight of 286.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate is sourced from PubChem (CID 134870694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).