tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane

C22H46O2Si2 — CID 102052246

IUPACtert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane
SMILESCC(C)[Si](O[C@@H]1CC=CC[C@@H](O[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C22H46O2Si2/c1-17(2)26(18(3)4,19(5)6)24-21-15-13-12-14-20(16-21)23-25(10,11)22(7,8)9/h12-13,17-21H,14-16H2,1-11H3/t20-,21-/m1/s1
InChIKeyITJLREVJCGCTIB-NHCUHLMSSA-N
MW398.78 g/mol
LogP7.68
Rot. Bonds7

About tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane (PubChem CID 102052246) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane
PubChem CID102052246
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Nametert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane
SMILESCC(C)[Si](O[C@@H]1CC=CC[C@@H](O[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C22H46O2Si2/c1-17(2)26(18(3)4,19(5)6)24-21-15-13-12-14-20(16-21)23-25(10,11)22(7,8)9/h12-13,17-21H,14-16H2,1-11H3/t20-,21-/m1/s1
InChIKeyITJLREVJCGCTIB-NHCUHLMSSA-N
XLogP7.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 57.68
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

tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethanamine
CID 71279786
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
3-[tert-butyl(dimethyl)silyl]oxy-2,3,4,7-tetrahydroazepine-1-carboxylic acid
CID 175874654
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326
tert-butyl-[(5Z)-cycloundec-5-en-1-yl]oxy-dimethylsilane
CID 22177390
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
[3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane
CID 168964353
tert-butyl-cycloundec-4-en-1-yloxy-dimethylsilane
CID 68818664
[(1S)-3-bromocyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10880391

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane (CID 102052246) is tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane is CC(C)[Si](O[C@@H]1CC=CC[C@@H](O[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane?
The InChIKey is ITJLREVJCGCTIB-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-17(2)26(18(3)4,19(5)6)24-21-15-13-12-14-20(16-21)23-25(10,11)22(7,8)9/h12-13,17-21H,14-16H2,1-11H3/t20-,21-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane has a molecular weight of 398.78 g/mol, XLogP of 7.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane is sourced from PubChem (CID 102052246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).