tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane

C26H46O3Si2 — CID 102163593

IUPACtert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane
SMILESCC(/C=C/[C@H]1CC=C[C@H](OC(C)C)O1)=C\C[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H46O3Si2/c1-21(2)27-25-14-12-13-23(28-25)17-15-22(3)16-18-24(19-20-30(7,8)9)29-31(10,11)26(4,5)6/h12,14-17,21,23-25H,13,18H2,1-11H3/b17-15+,22-16+/t23-,24-,25-/m1/s1
InChIKeyKIDWDVPYXOKDMU-TUGKXMPTSA-N
MW462.82 g/mol
LogP7.25
Rot. Bonds8

About tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane (PubChem CID 102163593) has the molecular formula C26H46O3Si2 and a molecular weight of 462.82 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane
PubChem CID102163593
Molecular FormulaC26H46O3Si2
Molecular Weight462.82 g/mol
Exact Mass462.30
IUPAC Nametert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane
SMILESCC(/C=C/[C@H]1CC=C[C@H](OC(C)C)O1)=C\C[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H46O3Si2/c1-21(2)27-25-14-12-13-23(28-25)17-15-22(3)16-18-24(19-20-30(7,8)9)29-31(10,11)26(4,5)6/h12,14-17,21,23-25H,13,18H2,1-11H3/b17-15+,22-16+/t23-,24-,25-/m1/s1
InChIKeyKIDWDVPYXOKDMU-TUGKXMPTSA-N
XLogP7.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.82
LogP ≤ 57.25
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane with MolForge

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Related Compounds

triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane
CID 11199420
tri(propan-2-yl)-[2-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]ethynyl]silane
CID 11267255
2-[(2R)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]ethynyl-tri(propan-2-yl)silane
CID 44556775
tert-butyl-[(2R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienoxy]-dimethylsilane
CID 49788316
tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane
CID 134976296
triethyl-[(2S,3Z,5Z)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane
CID 134981916
tert-butyl-[(3S,4E,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienoxy]-dimethylsilane
CID 134982503
tert-butyl-[(2S,3Z,5E)-2,4-dimethyl-6-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-dimethylsilane
CID 10500020
tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
CID 10787861
[(1E,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane
CID 10805942
tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane
CID 11307095
tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane
CID 11362658

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane (CID 102163593) is tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane is CC(/C=C/[C@H]1CC=C[C@H](OC(C)C)O1)=C\C[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane?
The InChIKey is KIDWDVPYXOKDMU-TUGKXMPTSA-N. The full InChI is InChI=1S/C26H46O3Si2/c1-21(2)27-25-14-12-13-23(28-25)17-15-22(3)16-18-24(19-20-30(7,8)9)29-31(10,11)26(4,5)6/h12,14-17,21,23-25H,13,18H2,1-11H3/b17-15+,22-16+/t23-,24-,25-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane has a molecular weight of 462.82 g/mol, XLogP of 7.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane is sourced from PubChem (CID 102163593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).