[(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

C34H60O2Si2 — CID 59906539

IUPAC[(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESC=C1/C(=C/C=C2\CCC[C@]3(C)C(C(C)C)=CCC23)CC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H60O2Si2/c1-24(2)29-19-20-30-26(16-15-21-34(29,30)10)17-18-27-22-28(35-37(11,12)32(4,5)6)23-31(25(27)3)36-38(13,14)33(7,8)9/h17-19,24,28,30-31H,3,15-16,20-23H2,1-2,4-14H3/b26-17+,27-18+/t28?,30?,31?,34-/m1/s1
InChIKeySNOMOOGEHOXXBI-MCUSKSBFSA-N
MW557.02 g/mol
LogP10.76
Rot. Bonds6

About [(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

[(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 59906539) has the molecular formula C34H60O2Si2 and a molecular weight of 557.02 g/mol. Its IUPAC name is [(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID59906539
Molecular FormulaC34H60O2Si2
Molecular Weight557.02 g/mol
Exact Mass556.41
IUPAC Name[(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESC=C1/C(=C/C=C2\CCC[C@]3(C)C(C(C)C)=CCC23)CC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H60O2Si2/c1-24(2)29-19-20-30-26(16-15-21-34(29,30)10)17-18-27-22-28(35-37(11,12)32(4,5)6)23-31(25(27)3)36-38(13,14)33(7,8)9/h17-19,24,28,30-31H,3,15-16,20-23H2,1-2,4-14H3/b26-17+,27-18+/t28?,30?,31?,34-/m1/s1
InChIKeySNOMOOGEHOXXBI-MCUSKSBFSA-N
XLogP10.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.02
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[(1a,3b,5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane]
CID 11125102
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-trimethylsilylpentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 172432171
(1S,5R,E)-5-(tert-butyldimethylsilyloxy)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-2-Methylenecyclohexanol
CID 11060454
[(3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 11103093
[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 58896109
tert-butyl-[[(1S,3R,9S,10R,13S,14S,17E)-1-[tert-butyl(dimethyl)silyl]oxy-17-ethylidene-10,13-dimethyl-1,2,3,4,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
CID 70299839
[(1S,5R)-3-[2-[(3aS,7aS)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyhept-4-yn-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 54383462
[(1R,3Z,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-methyloct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 58896110
[(1S,3Z,5R)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyhept-4-yn-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 88419502
[(1R,3R)-5-[(2E)-2-[(2R,3R)-3-[(2S)-4,4-difluoro-2-methylbutyl]-3-methyl-2-propylcyclohexylidene]ethylidene]-2-methylidene-3-triethylsilyloxycyclohexyl]oxy-triethylsilane
CID 88867220
[(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-4,4-difluorobutan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-3-triethylsilyloxycyclohexyl]oxy-triethylsilane
CID 89172099
[(E,5S)-5-[(3aS,4E,7aS)-4-[(2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-1,1-diethylhex-2-enoxy]-triethylsilane
CID 140514880

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CID 59906539) is [(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is C=C1/C(=C/C=C2\CCC[C@]3(C)C(C(C)C)=CCC23)CC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SNOMOOGEHOXXBI-MCUSKSBFSA-N. The full InChI is InChI=1S/C34H60O2Si2/c1-24(2)29-19-20-30-26(16-15-21-34(29,30)10)17-18-27-22-28(35-37(11,12)32(4,5)6)23-31(25(27)3)36-38(13,14)33(7,8)9/h17-19,24,28,30-31H,3,15-16,20-23H2,1-2,4-14H3/b26-17+,27-18+/t28?,30?,31?,34-/m1/s1.
What are the key properties of [(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
[(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 557.02 g/mol, XLogP of 10.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-[(2E)-2-[(7aS)-7a-methyl-1-propan-2-yl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 59906539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).