[(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate

C18H32O4Si — CID 15942571

IUPAC[(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate
SMILESC=C[C@H]1C[C@@H](/C=C/COC(C)=O)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C18H32O4Si/c1-9-15-13-16(11-10-12-20-14(2)19)22-23(21-15,17(3,4)5)18(6,7)8/h9-11,15-16H,1,12-13H2,2-8H3/b11-10+/t15-,16+/m0/s1
InChIKeyQOKIQLCXXAZOHV-ZBYDSPNZSA-N
MW340.54 g/mol
LogP4.51
Rot. Bonds4

About [(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate

[(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate (PubChem CID 15942571) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is [(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate
PubChem CID15942571
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name[(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate
SMILESC=C[C@H]1C[C@@H](/C=C/COC(C)=O)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C18H32O4Si/c1-9-15-13-16(11-10-12-20-14(2)19)22-23(21-15,17(3,4)5)18(6,7)8/h9-11,15-16H,1,12-13H2,2-8H3/b11-10+/t15-,16+/m0/s1
InChIKeyQOKIQLCXXAZOHV-ZBYDSPNZSA-N
XLogP4.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.51
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'}

Analyze [(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate
CID 14737941
[(E)-1-tri(propan-2-yl)silyloxyhex-4-en-3-yl] acetate
CID 102029881
[(E,3R)-1-tri(propan-2-yl)silyloxyhex-4-en-3-yl] acetate
CID 102296205
[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102355754
[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102573501
[(2R,3R,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102573502
diethyl (2Z,7Z)-5-[tert-butyl(dimethyl)silyl]oxynona-2,7-dienedioate
CID 102597805
diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate
CID 135073113
[(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-3-en-2-yl] acetate
CID 139263528

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate?
The IUPAC name of [(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate (CID 15942571) is [(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate is C=C[C@H]1C[C@@H](/C=C/COC(C)=O)O[Si](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of [(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate?
The InChIKey is QOKIQLCXXAZOHV-ZBYDSPNZSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-9-15-13-16(11-10-12-20-14(2)19)22-23(21-15,17(3,4)5)18(6,7)8/h9-11,15-16H,1,12-13H2,2-8H3/b11-10+/t15-,16+/m0/s1.
What are the key properties of [(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate?
[(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate has a molecular weight of 340.54 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate is sourced from PubChem (CID 15942571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).