tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane

C21H48O4Si4 — CID 11826898

IUPACtert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1
InChIInChI=1S/C21H48O4Si4/c1-21(2,3)29(13,14)22-17-15-18(23-26(4,5)6)20(25-28(10,11)12)19(16-17)24-27(7,8)9/h15,17,19-20H,16H2,1-14H3/t17-,19+,20-/m0/s1
InChIKeyWURJHWPVCXMHAN-SXLOBPIMSA-N
MW476.96 g/mol
LogP6.96
Rot. Bonds8

About tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane (PubChem CID 11826898) has the molecular formula C21H48O4Si4 and a molecular weight of 476.96 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane
PubChem CID11826898
Molecular FormulaC21H48O4Si4
Molecular Weight476.96 g/mol
Exact Mass476.26
IUPAC Nametert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1
InChIInChI=1S/C21H48O4Si4/c1-21(2,3)29(13,14)22-17-15-18(23-26(4,5)6)20(25-28(10,11)12)19(16-17)24-27(7,8)9/h15,17,19-20H,16H2,1-14H3/t17-,19+,20-/m0/s1
InChIKeyWURJHWPVCXMHAN-SXLOBPIMSA-N
XLogP6.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.96
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-3-en-1-yl)oxysilane
CID 85257334
tert-butyl-dimethyl-[(1S)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
CID 10756665
[(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 14483578
Tert-butyl-dimethyl-(2-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane
CID 134858143
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930554
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930722
tert-butyl-dimethyl-[(1R)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
CID 134976038
triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane
CID 166440883
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 11067856
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 58846975
[(1R,3R)-5-but-3-enylidene-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 60028203
tert-butyl-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethylidene-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 91865425

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane (CID 11826898) is tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane is CC(C)(C)[Si](C)(C)O[C@H]1C=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane?
The InChIKey is WURJHWPVCXMHAN-SXLOBPIMSA-N. The full InChI is InChI=1S/C21H48O4Si4/c1-21(2,3)29(13,14)22-17-15-18(23-26(4,5)6)20(25-28(10,11)12)19(16-17)24-27(7,8)9/h15,17,19-20H,16H2,1-14H3/t17-,19+,20-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane has a molecular weight of 476.96 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,4R,5R)-3,4,5-tris(trimethylsilyloxy)cyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 11826898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).