tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane

C18H38O2Si2 — CID 11067856

IUPACtert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)19-15-13-11-12-14-16(15)20-22(9,10)18(4,5)6/h11,13,15-16H,12,14H2,1-10H3/t15-,16+/m1/s1
InChIKeyXXAYQEGDQZDCTM-CVEARBPZSA-N
MW342.67 g/mol
LogP6.12
Rot. Bonds4

About tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 11067856) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID11067856
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Nametert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)19-15-13-11-12-14-16(15)20-22(9,10)18(4,5)6/h11,13,15-16H,12,14H2,1-10H3/t15-,16+/m1/s1
InChIKeyXXAYQEGDQZDCTM-CVEARBPZSA-N
XLogP6.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 56.12
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

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
Cyclohex-2-en-1-yloxy-dimethylsilyloxy-dimethylsilane
CID 146161495
tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
(5S,6S,8S)-6-[(tert-Butyldimethylsilyl)oxy]-2,2,3,3,8,10,10,11,11-nonamethyl-5-[(1E,3E)-2-methyl-4-(tributylstannyl)buta-1,3-dien-1-yl]-4,9-dioxa-3,10-disiladodecane
CID 131741561
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
[(1S)-cyclohex-2-en-1-yl]oxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
CID 11393435
tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane
CID 11430610
tert-butyl-dimethyl-[(Z,2S)-1-triethylsilyloxydec-4-en-2-yl]oxysilane
CID 11475089
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylcyclohept-3-en-1-yl]oxy-dimethylsilane
CID 12162138
tert-butyl-dimethyl-[(5E)-7-triethylsilyloxyocta-5,7-dienoxy]silane
CID 13067723
tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
CID 15416504

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane (CID 11067856) is tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCC=C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is XXAYQEGDQZDCTM-CVEARBPZSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)19-15-13-11-12-14-16(15)20-22(9,10)18(4,5)6/h11,13,15-16H,12,14H2,1-10H3/t15-,16+/m1/s1.
What are the key properties of tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 342.67 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11067856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).