[(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate

C19H32O4Si — CID 101440388

IUPAC[(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate
SMILESCC(=O)O[C@H](C#C[Si](C)(C)C)CC/C=C(/C)COC1CCCCO1
InChIInChI=1S/C19H32O4Si/c1-16(15-22-19-11-6-7-13-21-19)9-8-10-18(23-17(2)20)12-14-24(3,4)5/h9,18-19H,6-8,10-11,13,15H2,1-5H3/b16-9-/t18-,19?/m0/s1
InChIKeyMGNFLQJMJJLIDU-WLBMJECPSA-N
MW352.55 g/mol
LogP4.07
Rot. Bonds7

About [(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate

[(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate (PubChem CID 101440388) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is [(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate.

Molecular Properties

Compound Name[(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate
PubChem CID101440388
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Name[(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate
SMILESCC(=O)O[C@H](C#C[Si](C)(C)C)CC/C=C(/C)COC1CCCCO1
InChIInChI=1S/C19H32O4Si/c1-16(15-22-19-11-6-7-13-21-19)9-8-10-18(23-17(2)20)12-14-24(3,4)5/h9,18-19H,6-8,10-11,13,15H2,1-5H3/b16-9-/t18-,19?/m0/s1
InChIKeyMGNFLQJMJJLIDU-WLBMJECPSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.07
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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Launch Full Analysis

Related Compounds

ethyl (E)-7-methyl-8-tetrahydropyran-2-yloxy-oct-6-en-2-ynoate
CID 5387846
ethyl (2Z,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate
CID 134832778
ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate
CID 134832779
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
[(6E,10E)-2-hydroxy-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-3-yn-5-yl] 2,2-dimethylpropanoate
CID 11144280
ethyl (7E,11E)-4-hydroxy-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoate
CID 15726377
tert-butyl-[(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726381
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
(12E,16E)-9-[tert-butyl(dimethyl)silyl]oxy-12,16-dimethyl-18-(oxan-2-yloxy)octadeca-12,16-dien-7-yn-6-one
CID 15726393
ethyl (2E,7E,11E)-4-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trienoate
CID 15726403
[(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate
CID 177422864
[(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
CID 177429881

Frequently Asked Questions

What is the IUPAC name of [(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate?
The IUPAC name of [(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate (CID 101440388) is [(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate.
What is the SMILES notation for [(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate?
The canonical SMILES for [(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate is CC(=O)O[C@H](C#C[Si](C)(C)C)CC/C=C(/C)COC1CCCCO1.
What is the InChIKey of [(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate?
The InChIKey is MGNFLQJMJJLIDU-WLBMJECPSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-16(15-22-19-11-6-7-13-21-19)9-8-10-18(23-17(2)20)12-14-24(3,4)5/h9,18-19H,6-8,10-11,13,15H2,1-5H3/b16-9-/t18-,19?/m0/s1.
What are the key properties of [(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate?
[(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate has a molecular weight of 352.55 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate is sourced from PubChem (CID 101440388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).