[(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate

C19H38O3Si — CID 11002399

IUPAC[(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate
SMILESC/C=C\[C@H](C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)CC
InChIInChI=1S/C19H38O3Si/c1-10-12-17(9)18(22-19(20)11-2)13-21-23(14(3)4,15(5)6)16(7)8/h10,12,14-18H,11,13H2,1-9H3/b12-10-/t17-,18+/m0/s1
InChIKeyUHNVMATUFGTGJV-TYUFWACSSA-N
MW342.60 g/mol
LogP5.71
Rot. Bonds10

About [(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate

[(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate (PubChem CID 11002399) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is [(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate.

Molecular Properties

Compound Name[(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate
PubChem CID11002399
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name[(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate
SMILESC/C=C\[C@H](C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)CC
InChIInChI=1S/C19H38O3Si/c1-10-12-17(9)18(22-19(20)11-2)13-21-23(14(3)4,15(5)6)16(7)8/h10,12,14-18H,11,13H2,1-9H3/b12-10-/t17-,18+/m0/s1
InChIKeyUHNVMATUFGTGJV-TYUFWACSSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.71
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

(4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
CID 16758302
(4Z,6S,7R,12Z,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
CID 16758306
(4E,6R,7S,12E,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
CID 6419642
[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enyl] 2,2-dimethylpropanoate
CID 134881042
(4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
CID 139040031
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
(4R,8S,9S,E)-8-((tert-butyldimethylsilyl)oxy)-6,9-dimethylundeca-6,10-dien-4-yl acetate
CID 163319751
(4E,6S,7R,12E,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
CID 6419646
(6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
CID 6613118
(6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
CID 6636710
methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate
CID 89060403
(4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione
CID 6917459

Frequently Asked Questions

What is the IUPAC name of [(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate?
The IUPAC name of [(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate (CID 11002399) is [(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate.
What is the SMILES notation for [(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate?
The canonical SMILES for [(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate is C/C=C\[C@H](C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)CC.
What is the InChIKey of [(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate?
The InChIKey is UHNVMATUFGTGJV-TYUFWACSSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-12-17(9)18(22-19(20)11-2)13-21-23(14(3)4,15(5)6)16(7)8/h10,12,14-18H,11,13H2,1-9H3/b12-10-/t17-,18+/m0/s1.
What are the key properties of [(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate?
[(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate has a molecular weight of 342.60 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate is sourced from PubChem (CID 11002399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).