tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane

C17H32O3Si — CID 132576243

IUPACtert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC/C=C/C(=C/C1COC(C)(C)OC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-9-10-15(20-21(7,8)16(2,3)4)11-14-12-18-17(5,6)19-13-14/h9-11,14H,12-13H2,1-8H3/b10-9+,15-11-
InChIKeyOMMCYGXCSXCNLR-RKVFCIRRSA-N
MW312.53 g/mol
LogP4.87
Rot. Bonds4

About tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane (PubChem CID 132576243) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane
PubChem CID132576243
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC/C=C/C(=C/C1COC(C)(C)OC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-9-10-15(20-21(7,8)16(2,3)4)11-14-12-18-17(5,6)19-13-14/h9-11,14H,12-13H2,1-8H3/b10-9+,15-11-
InChIKeyOMMCYGXCSXCNLR-RKVFCIRRSA-N
XLogP4.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethyloxan-2-yl]ethanone
CID 10924589
5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 102147244
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
CID 5374163
tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane
CID 134885210
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 46933569
tert-butyl-[[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxan-4-yl]methoxy]-dimethylsilane
CID 10542271
1-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11471775
2-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 150347977
tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
CID 56589789
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
CID 59226561
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanal
CID 135665356

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane (CID 132576243) is tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane is C/C=C/C(=C/C1COC(C)(C)OC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane?
The InChIKey is OMMCYGXCSXCNLR-RKVFCIRRSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-9-10-15(20-21(7,8)16(2,3)4)11-14-12-18-17(5,6)19-13-14/h9-11,14H,12-13H2,1-8H3/b10-9+,15-11-.
What are the key properties of tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane has a molecular weight of 312.53 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1Z,3E)-1-(2,2-dimethyl-1,3-dioxan-5-yl)penta-1,3-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 132576243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).