[(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate

C15H24O4Si — CID 139649640

IUPAC[(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
SMILESC=C[C@H](C[C@@H](CC#C[Si](C)(C)C)OC(C)=O)OC(C)=O
InChIInChI=1S/C15H24O4Si/c1-7-14(18-12(2)16)11-15(19-13(3)17)9-8-10-20(4,5)6/h7,14-15H,1,9,11H2,2-6H3/t14-,15-/m1/s1
InChIKeyKJXXWPZYSORHCO-HUUCEWRRSA-N
MW296.44 g/mol
LogP2.70
Rot. Bonds6

About [(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate

[(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate (PubChem CID 139649640) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is [(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate.

Molecular Properties

Compound Name[(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
PubChem CID139649640
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Name[(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
SMILESC=C[C@H](C[C@@H](CC#C[Si](C)(C)C)OC(C)=O)OC(C)=O
InChIInChI=1S/C15H24O4Si/c1-7-14(18-12(2)16)11-15(19-13(3)17)9-8-10-20(4,5)6/h7,14-15H,1,9,11H2,2-6H3/t14-,15-/m1/s1
InChIKeyKJXXWPZYSORHCO-HUUCEWRRSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-Trimethylsilylnona-1,2-dien-8-yn-4-yl acetate
CID 141310988
[(Z)-5-methoxy-1-triethylsilylpent-1-en-3-yl] acetate
CID 134964945
[(3S)-1-trimethylsilylhept-6-en-1-yn-3-yl] acetate
CID 135023701
[(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate
CID 135074338
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
CID 11380641
Ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate
CID 20765144
[(4R,6R)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649642
[(4R,6S)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649643
[(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649648
[(3S,4S)-3-acetyloxy-7-trimethylsilylhept-1-en-6-yn-4-yl] acetate
CID 10564867
ethyl (5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-8-en-2-ynoate
CID 10950270
[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 25023044

Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate?
The IUPAC name of [(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate (CID 139649640) is [(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate.
What is the SMILES notation for [(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate?
The canonical SMILES for [(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate is C=C[C@H](C[C@@H](CC#C[Si](C)(C)C)OC(C)=O)OC(C)=O.
What is the InChIKey of [(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate?
The InChIKey is KJXXWPZYSORHCO-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-7-14(18-12(2)16)11-15(19-13(3)17)9-8-10-20(4,5)6/h7,14-15H,1,9,11H2,2-6H3/t14-,15-/m1/s1.
What are the key properties of [(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate?
[(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate has a molecular weight of 296.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate is sourced from PubChem (CID 139649640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).