tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane

C29H54O2Si2 — CID 134865089

IUPACtert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane
SMILESC=C1CC(C)(C)C(O[Si](C(C)C)(C(C)C)C(C)C)/C1=C1\CC[C@H](O[Si](C)(C)C(C)(C)C)C1=C
InChIInChI=1S/C29H54O2Si2/c1-19(2)33(20(3)4,21(5)6)31-27-26(22(7)18-29(27,12)13)24-16-17-25(23(24)8)30-32(14,15)28(9,10)11/h19-21,25,27H,7-8,16-18H2,1-6,9-15H3/b26-24+/t25-,27?/m0/s1
InChIKeyNULGLJCMDKMQHX-NVYARVRUSA-N
MW490.92 g/mol
LogP9.57
Rot. Bonds7

About tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane

tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane (PubChem CID 134865089) has the molecular formula C29H54O2Si2 and a molecular weight of 490.92 g/mol. Its IUPAC name is tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane
PubChem CID134865089
Molecular FormulaC29H54O2Si2
Molecular Weight490.92 g/mol
Exact Mass490.37
IUPAC Nametert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane
SMILESC=C1CC(C)(C)C(O[Si](C(C)C)(C(C)C)C(C)C)/C1=C1\CC[C@H](O[Si](C)(C)C(C)(C)C)C1=C
InChIInChI=1S/C29H54O2Si2/c1-19(2)33(20(3)4,21(5)6)31-27-26(22(7)18-29(27,12)13)24-16-17-25(23(24)8)30-32(14,15)28(9,10)11/h19-21,25,27H,7-8,16-18H2,1-6,9-15H3/b26-24+/t25-,27?/m0/s1
InChIKeyNULGLJCMDKMQHX-NVYARVRUSA-N
XLogP9.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.92
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(5Z)-5-ethylidene-2,2-dimethyl-4-methylidenecyclopentyl]oxy-dimethylsilane
CID 11832363
(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2,2-dimethyl-4-methylidenecyclopentan-1-ol
CID 134982969
tert-butyl-[(5E)-5-ethylidene-2,2-dimethyl-4-methylidenecyclopentyl]oxy-dimethylsilane
CID 101111974
tert-butyl-[(4Z)-4-ethylidene-2,2-dimethyl-5-methylidenecyclopentyl]oxy-dimethylsilane
CID 11300113
Tert-butyl-(5-ethylidene-2,2-dimethyl-4-methylidenecyclopentyl)oxy-dimethylsilane
CID 57372543
tert-butyl-[(4E)-4-ethylidene-2,2-dimethyl-5-methylidenecyclopentyl]oxy-dimethylsilane
CID 101342104
tert-butyl-[(4E)-4-[[diethyl(methyl)silyl]methylidene]-2,2-dimethyl-5-methylidenecyclopentyl]oxy-dimethylsilane
CID 102245965
tert-butyl-[(4E)-4-[[ethyl(dimethyl)silyl]methylidene]-2,2-dimethyl-5-methylidenecyclopentyl]oxy-dimethylsilane
CID 102245966
tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane
CID 102384075
tert-butyl-[(1S,2S,3Z)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane
CID 177612862

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane (CID 134865089) is tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane is C=C1CC(C)(C)C(O[Si](C(C)C)(C(C)C)C(C)C)/C1=C1\CC[C@H](O[Si](C)(C)C(C)(C)C)C1=C.
What is the InChIKey of tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane?
The InChIKey is NULGLJCMDKMQHX-NVYARVRUSA-N. The full InChI is InChI=1S/C29H54O2Si2/c1-19(2)33(20(3)4,21(5)6)31-27-26(22(7)18-29(27,12)13)24-16-17-25(23(24)8)30-32(14,15)28(9,10)11/h19-21,25,27H,7-8,16-18H2,1-6,9-15H3/b26-24+/t25-,27?/m0/s1.
What are the key properties of tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane has a molecular weight of 490.92 g/mol, XLogP of 9.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,3E)-3-[3,3-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxycyclopentylidene]-2-methylidenecyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 134865089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).