tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane

C15H28OSi — CID 78173087

IUPACtert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane
SMILESC#CCC1CCCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-7-10-13-11-8-9-12-14(13)16-17(5,6)15(2,3)4/h1,13-14H,8-12H2,2-6H3
InChIKeyLJQRQJOPTDPLSN-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.59
Rot. Bonds3

About tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane

tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane (PubChem CID 78173087) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane
PubChem CID78173087
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane
SMILESC#CCC1CCCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-7-10-13-11-8-9-12-14(13)16-17(5,6)15(2,3)4/h1,13-14H,8-12H2,2-6H3
InChIKeyLJQRQJOPTDPLSN-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

alpha-(3-(Trimethylsilyl)-2-propyn-1-yl)cyclohexanemethanol
CID 10867955
tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
CID 134978254
(1R)-1-cyclohexyl-3-triethylsilylprop-2-yn-1-ol
CID 10125283
(1S)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10536456
alpha-[2-(Trimethylsilyl)ethynyl]cyclohexanemethanol
CID 14026558
Cyclohexanol, 2-methyl, DMTBS
CID 529214
2-Methylcyclohexyl trimethylsilyl ether
CID 6432411
Silane, trimethyl[(2-methylcyclohexyl)oxy]-
CID 520959
1-Cyclohexylethanol, tert-butyldimethylsilyl ether
CID 15402227
1-Cyclohexylethanol, TMS derivative
CID 20821444
(1R)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10846153
2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane
CID 10867900

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane (CID 78173087) is tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane is C#CCC1CCCCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane?
The InChIKey is LJQRQJOPTDPLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-7-10-13-11-8-9-12-14(13)16-17(5,6)15(2,3)4/h1,13-14H,8-12H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane?
tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane has a molecular weight of 252.47 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-prop-2-ynylcyclohexyl)oxysilane is sourced from PubChem (CID 78173087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).