tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane

C22H40O2Si2 — CID 10905275

IUPACtert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CC#COC1CCCCC1)CC#C[Si](C)(C)C
InChIInChI=1S/C22H40O2Si2/c1-22(2,3)26(7,8)24-21(17-13-19-25(4,5)6)16-12-18-23-20-14-10-9-11-15-20/h20-21H,9-11,14-17H2,1-8H3
InChIKeySVXKOJBCQZHZKU-UHFFFAOYSA-N
MW392.73 g/mol
LogP6.35
Rot. Bonds5

About tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane

tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane (PubChem CID 10905275) has the molecular formula C22H40O2Si2 and a molecular weight of 392.73 g/mol. Its IUPAC name is tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane
PubChem CID10905275
Molecular FormulaC22H40O2Si2
Molecular Weight392.73 g/mol
Exact Mass392.26
IUPAC Nametert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CC#COC1CCCCC1)CC#C[Si](C)(C)C
InChIInChI=1S/C22H40O2Si2/c1-22(2,3)26(7,8)24-21(17-13-19-25(4,5)6)16-12-18-23-20-14-10-9-11-15-20/h20-21H,9-11,14-17H2,1-8H3
InChIKeySVXKOJBCQZHZKU-UHFFFAOYSA-N
XLogP6.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.73
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile
CID 11087733
2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58461604
2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropan-1-ol
CID 19966072
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-ynal
CID 11067797
tert-butyl-dimethyl-oct-5-yn-3-yloxysilane
CID 88749377
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
tert-butyl-(1-cyclopentylprop-2-ynoxy)-dimethylsilane
CID 14314323
tert-butyl-(cyclohexyloxymethoxy)-dimethylsilane
CID 139783422
tert-butyl-[2-[cyclohexylmethoxy(dimethyl)silyl]-2-methyl-1-phenylpropoxy]-dimethylsilane
CID 18922427
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane
CID 101186688
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpropan-2-ol
CID 166437528

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane (CID 10905275) is tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC(CC#COC1CCCCC1)CC#C[Si](C)(C)C.
What is the InChIKey of tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane?
The InChIKey is SVXKOJBCQZHZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2Si2/c1-22(2,3)26(7,8)24-21(17-13-19-25(4,5)6)16-12-18-23-20-14-10-9-11-15-20/h20-21H,9-11,14-17H2,1-8H3.
What are the key properties of tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane?
tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane has a molecular weight of 392.73 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane is sourced from PubChem (CID 10905275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).