tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane

C35H64O4Si2 — CID 11006551

IUPACtert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane
SMILESCCCCCC(/C=C/C1=C2C/C(=C/CCCCOC3CCCCO3)CC2CC1O[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H64O4Si2/c1-10-11-13-19-30(38-41(8,9)35(2,3)4)21-22-31-32-26-28(25-29(32)27-33(31)39-40(5,6)7)18-14-12-16-23-36-34-20-15-17-24-37-34/h18,21-22,29-30,33-34H,10-17,19-20,23-27H2,1-9H3/b22-21+,28-18+
InChIKeyOYBAFGVZFAZLAB-PGBAKOLDSA-N
MW605.07 g/mol
LogP10.48
Rot. Bonds16

About tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane

tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane (PubChem CID 11006551) has the molecular formula C35H64O4Si2 and a molecular weight of 605.07 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane
PubChem CID11006551
Molecular FormulaC35H64O4Si2
Molecular Weight605.07 g/mol
Exact Mass604.43
IUPAC Nametert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane
SMILESCCCCCC(/C=C/C1=C2C/C(=C/CCCCOC3CCCCO3)CC2CC1O[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H64O4Si2/c1-10-11-13-19-30(38-41(8,9)35(2,3)4)21-22-31-32-26-28(25-29(32)27-33(31)39-40(5,6)7)18-14-12-16-23-36-34-20-15-17-24-37-34/h18,21-22,29-30,33-34H,10-17,19-20,23-27H2,1-9H3/b22-21+,28-18+
InChIKeyOYBAFGVZFAZLAB-PGBAKOLDSA-N
XLogP10.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.07
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(5E)-3-iodo-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy-trimethylsilane
CID 10863899
(5E)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-ol
CID 11071552
tert-butyl-[[(2R,3S,6S,8R,9S)-8-[(2E,4E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-2,4,8-trienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 24749653
[(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane
CID 25107595
tert-butyl-[[(2R,3S)-8-[(2E,4E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-2,4,8-trienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 134940747
tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane
CID 59678393
bromozinc(1+);trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-1,2,3,3a,4,6-hexahydropentalen-1-id-2-yl]oxy]silane
CID 10929294
trimethyl-[[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2,4,6,6a-tetrahydro-1H-pentalen-2-yl]oxy]silane
CID 10929295
(5E)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-[5-(oxan-2-yloxy)pentylidene]-1,4,6,6a-tetrahydropentalen-2-one
CID 10995036
[(1R,2R,3aS,5E,6aS)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-[5-(oxan-2-yloxy)pentylidene]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 11082814
[(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane
CID 11093684
[(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane
CID 11239777

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane (CID 11006551) is tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane is CCCCCC(/C=C/C1=C2C/C(=C/CCCCOC3CCCCO3)CC2CC1O[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane?
The InChIKey is OYBAFGVZFAZLAB-PGBAKOLDSA-N. The full InChI is InChI=1S/C35H64O4Si2/c1-10-11-13-19-30(38-41(8,9)35(2,3)4)21-22-31-32-26-28(25-29(32)27-33(31)39-40(5,6)7)18-14-12-16-23-36-34-20-15-17-24-37-34/h18,21-22,29-30,33-34H,10-17,19-20,23-27H2,1-9H3/b22-21+,28-18+.
What are the key properties of tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane?
tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane has a molecular weight of 605.07 g/mol, XLogP of 10.48, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-1-[(5E)-5-[5-(oxan-2-yloxy)pentylidene]-2-trimethylsilyloxy-3,3a,4,6-tetrahydro-2H-pentalen-1-yl]oct-1-en-3-yl]oxysilane is sourced from PubChem (CID 11006551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).