tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane

C25H44O3Si — CID 15726405

IUPACtert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane
SMILESC=C1C(O[Si](C)(C)C(C)(C)C)CCC1(C)/C=C/C/C(C)=C/COC1CCCCO1
InChIInChI=1S/C25H44O3Si/c1-20(15-19-27-23-13-9-10-18-26-23)12-11-16-25(6)17-14-22(21(25)2)28-29(7,8)24(3,4)5/h11,15-16,22-23H,2,9-10,12-14,17-19H2,1,3-8H3/b16-11+,20-15+
InChIKeyVLKSQAUGIGXLDC-QQYMUJGWSA-N
MW420.71 g/mol
LogP7.17
Rot. Bonds8

About tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane

tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane (PubChem CID 15726405) has the molecular formula C25H44O3Si and a molecular weight of 420.71 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane
PubChem CID15726405
Molecular FormulaC25H44O3Si
Molecular Weight420.71 g/mol
Exact Mass420.31
IUPAC Nametert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane
SMILESC=C1C(O[Si](C)(C)C(C)(C)C)CCC1(C)/C=C/C/C(C)=C/COC1CCCCO1
InChIInChI=1S/C25H44O3Si/c1-20(15-19-27-23-13-9-10-18-26-23)12-11-16-25(6)17-14-22(21(25)2)28-29(7,8)24(3,4)5/h11,15-16,22-23H,2,9-10,12-14,17-19H2,1,3-8H3/b16-11+,20-15+
InChIKeyVLKSQAUGIGXLDC-QQYMUJGWSA-N
XLogP7.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.71
LogP ≤ 57.17
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'}

Analyze tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane with MolForge

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Related Compounds

Tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane
CID 57058828
(6E,10Z)-3-(tert.-butyldimethylsilyloxy)-2,6,10-trimethyl-12-[(tetrahydro-2H-pyran-2-yl)oxy]-1,6,10-dodecatriene
CID 70394004
Tert-butyl-dimethyl-[2-(3,4,4-trimethylcyclopent-2-en-1-yl)oxypropan-2-yloxy]silane
CID 173678215
tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane
CID 11059656
ethyl (2Z)-2-[(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentylidene]acetate
CID 21768133
tert-butyl-[(1S,2Z,3S)-2-(diethoxyphosphorylmethylidene)-3-methyl-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxy-dimethylsilane
CID 21768135
(1Z)-1-[(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentylidene]heptan-2-one
CID 21768138

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane (CID 15726405) is tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane is C=C1C(O[Si](C)(C)C(C)(C)C)CCC1(C)/C=C/C/C(C)=C/COC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane?
The InChIKey is VLKSQAUGIGXLDC-QQYMUJGWSA-N. The full InChI is InChI=1S/C25H44O3Si/c1-20(15-19-27-23-13-9-10-18-26-23)12-11-16-25(6)17-14-22(21(25)2)28-29(7,8)24(3,4)5/h11,15-16,22-23H,2,9-10,12-14,17-19H2,1,3-8H3/b16-11+,20-15+.
What are the key properties of tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane?
tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane has a molecular weight of 420.71 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-methyl-2-methylidene-3-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentyl]oxysilane is sourced from PubChem (CID 15726405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).