[(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane

C16H32OSi — CID 10563864

IUPAC[(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32OSi/c1-7-8-10-14-11-9-12-15(13-14)17-18(5,6)16(2,3)4/h7,14-15H,1,8-13H2,2-6H3/t14-,15+/m0/s1
InChIKeyQUPIEEPPXHVYQO-LSDHHAIUSA-N
MW268.52 g/mol
LogP5.53
Rot. Bonds5

About [(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane

[(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 10563864) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is [(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID10563864
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name[(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32OSi/c1-7-8-10-14-11-9-12-15(13-14)17-18(5,6)16(2,3)4/h7,14-15H,1,8-13H2,2-6H3/t14-,15+/m0/s1
InChIKeyQUPIEEPPXHVYQO-LSDHHAIUSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-ethenyl-5-fluoro-4-methylidenecyclohexyl)oxy-dimethylsilane
CID 91040703
tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane
CID 141638158
tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane
CID 161112104
Tert-butyl-[1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane
CID 173781464
Tert-butyl-(1-cyclohexylprop-2-enoxy)-dimethylsilane
CID 11253834
Silane, [(1-cyclohexyl-2-propenyl)oxy]trimethyl-
CID 10910863
tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane
CID 11021914
(1-Cyclohexyl-2-methylidenedodecoxy)-trimethylsilane
CID 44518239
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
[(E)-3-cyclohexyl-3-trimethylsilyloxyprop-1-enyl]-tri(propan-2-yl)silane
CID 134883124
tert-butyl-[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-dimethylsilane
CID 134980552
[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane
CID 135000775

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane (CID 10563864) is [(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane is C=CCC[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QUPIEEPPXHVYQO-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H32OSi/c1-7-8-10-14-11-9-12-15(13-14)17-18(5,6)16(2,3)4/h7,14-15H,1,8-13H2,2-6H3/t14-,15+/m0/s1.
What are the key properties of [(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane?
[(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 268.52 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-but-3-enylcyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10563864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).