tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane

C27H54O2Si3 — CID 101414674

IUPACtert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC/C1=C\[Si](C)(C)C
InChIInChI=1S/C27H54O2Si3/c1-22(16-15-19-28-31(11,12)26(2,3)4)25-20-24(29-32(13,14)27(5,6)7)18-17-23(25)21-30(8,9)10/h20-21,24H,1,15-19H2,2-14H3/b23-21+/t24-/m1/s1
InChIKeyLMAOTMVODCFIDX-YNXDEVCMSA-N
MW494.99 g/mol
LogP9.26
Rot. Bonds9

About tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 101414674) has the molecular formula C27H54O2Si3 and a molecular weight of 494.99 g/mol. Its IUPAC name is tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID101414674
Molecular FormulaC27H54O2Si3
Molecular Weight494.99 g/mol
Exact Mass494.34
IUPAC Nametert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC/C1=C\[Si](C)(C)C
InChIInChI=1S/C27H54O2Si3/c1-22(16-15-19-28-31(11,12)26(2,3)4)25-20-24(29-32(13,14)27(5,6)7)18-17-23(25)21-30(8,9)10/h20-21,24H,1,15-19H2,2-14H3/b23-21+/t24-/m1/s1
InChIKeyLMAOTMVODCFIDX-YNXDEVCMSA-N
XLogP9.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.99
LogP ≤ 59.26
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

Silane, [[1-(1-cyclohexen-1-yl)ethenyl]oxy](1,1-dimethylethyl)dimethyl-
CID 10955633
tert-Butyl-((S)-3-isopropenyl-cyclopent-2-enyloxy)-dimethyl-silane
CID 57386254
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)heptyloxy-
CID 91697247
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)octyloxy-
CID 91697248
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)nonyloxy-
CID 91710972
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)undecyloxy-
CID 91710973
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)dodecyloxy-
CID 91710974
Silane, dimethyl(oct-3-en-2-yloxy)octyloxy-
CID 91739055
Silane, dimethyl(oct-3-en-2-yloxy)decyloxy-
CID 91740946
(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol
CID 10739293
tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane
CID 11038372
7-Cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane
CID 11068043

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane (CID 101414674) is tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane is C=C(CCCO[Si](C)(C)C(C)(C)C)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC/C1=C\[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is LMAOTMVODCFIDX-YNXDEVCMSA-N. The full InChI is InChI=1S/C27H54O2Si3/c1-22(16-15-19-28-31(11,12)26(2,3)4)25-20-24(29-32(13,14)27(5,6)7)18-17-23(25)21-30(8,9)10/h20-21,24H,1,15-19H2,2-14H3/b23-21+/t24-/m1/s1.
What are the key properties of tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 494.99 g/mol, XLogP of 9.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 101414674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).