tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane

C35H66O2Si2 — CID 59054927

IUPACtert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane
SMILESC=C1/C(=C\C=C2/CCC[C@@](C)(CCOCCC(C)C)C2)C[C@@H]([Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H66O2Si2/c1-27(2)19-22-36-23-21-35(10)20-15-16-29(26-35)17-18-30-24-31(38(11,12)33(4,5)6)25-32(28(30)3)37-39(13,14)34(7,8)9/h17-18,27,31-32H,3,15-16,19-26H2,1-2,4-14H3/b29-17+,30-18-/t31-,32+,35+/m1/s1
InChIKeyUCYQQTLWPBJUFR-XJIVHGSUSA-N
MW575.08 g/mol
LogP11.49
Rot. Bonds10

About tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane (PubChem CID 59054927) has the molecular formula C35H66O2Si2 and a molecular weight of 575.08 g/mol. Its IUPAC name is tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane
PubChem CID59054927
Molecular FormulaC35H66O2Si2
Molecular Weight575.08 g/mol
Exact Mass574.46
IUPAC Nametert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane
SMILESC=C1/C(=C\C=C2/CCC[C@@](C)(CCOCCC(C)C)C2)C[C@@H]([Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H66O2Si2/c1-27(2)19-22-36-23-21-35(10)20-15-16-29(26-35)17-18-30-24-31(38(11,12)33(4,5)6)25-32(28(30)3)37-39(13,14)34(7,8)9/h17-18,27,31-32H,3,15-16,19-26H2,1-2,4-14H3/b29-17+,30-18-/t31-,32+,35+/m1/s1
InChIKeyUCYQQTLWPBJUFR-XJIVHGSUSA-N
XLogP11.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.08
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E,6S)-12-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]-2,6,8,8-tetramethyldodec-10-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 44197291
[(1R)-3-[2-[(3aS,7aS)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 53760706
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane
CID 53970698
tert-butyl-[(1R,3S,5E)-3-[tert-butyl(dimethyl)silyl]-4-methylidene-5-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane
CID 59054979
[(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
[(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 88490164
[(1R,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 88499286
[(1R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 89327865
tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane
CID 91502366
tert-butyl-[(1S,3Z,5R)-3-[(2E)-2-[(3S)-3-[5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-methyl-2-(4-methyl-4-trimethylsilyloxypentyl)-1-propyl-6-trimethylsilyloxyheptyl]-3-methylcyclohexylidene]ethylidene]-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexyl]oxy-dimethylsilane
CID 173561452
Tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane
CID 178132600
Tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-5-methylidene-2,3,4,6,7,8-hexahydronaphthalen-2-yl]oxy]-dimethylsilane
CID 11327674

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane (CID 59054927) is tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane is C=C1/C(=C\C=C2/CCC[C@@](C)(CCOCCC(C)C)C2)C[C@@H]([Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane?
The InChIKey is UCYQQTLWPBJUFR-XJIVHGSUSA-N. The full InChI is InChI=1S/C35H66O2Si2/c1-27(2)19-22-36-23-21-35(10)20-15-16-29(26-35)17-18-30-24-31(38(11,12)33(4,5)6)25-32(28(30)3)37-39(13,14)34(7,8)9/h17-18,27,31-32H,3,15-16,19-26H2,1-2,4-14H3/b29-17+,30-18-/t31-,32+,35+/m1/s1.
What are the key properties of tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane has a molecular weight of 575.08 g/mol, XLogP of 11.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 59054927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).