tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane

C16H32OSi — CID 99772921

IUPACtert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[C@@H]1CC=C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H32OSi/c1-15(2,3)13-9-11-14(12-10-13)17-18(7,8)16(4,5)6/h11,13H,9-10,12H2,1-8H3/t13-/m1/s1
InChIKeyNHFVDICZNHTNBN-CYBMUJFWSA-N
MW268.52 g/mol
LogP5.74
Rot. Bonds2

About tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane

tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane (PubChem CID 99772921) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane
PubChem CID99772921
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[C@@H]1CC=C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H32OSi/c1-15(2,3)13-9-11-14(12-10-13)17-18(7,8)16(4,5)6/h11,13H,9-10,12H2,1-8H3/t13-/m1/s1
InChIKeyNHFVDICZNHTNBN-CYBMUJFWSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-(3-methyl-cyclohex-1-enyloxy)-silane
CID 597981
Silane, [(3,3-dimethyl-1-cyclohexen-1-yl)oxy]trimethyl-
CID 602953
4-Tert-butyl-1-trimethylsilyloxy-1-cyclohexene
CID 10911276
trimethyl-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane
CID 11096320
4-Tert-butyl-1-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 12439600
Trimethyl-(5-methylcyclohexen-1-yl)oxysilane
CID 12608286
4-Methyl-1-(trimethylsilyloxy)-1-cyclohexene
CID 15564294
1-Cyclohexene, 4,4-dimethyl-1-[(trimethylsilyl)oxy]-
CID 581527
[(4R)-4-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 10633031
Silane, (1,1-dimethylethyl)dimethyl[(6-methyl-1-cyclohexen-1-yl)oxy]-
CID 10900345
Tert-butyl-dimethyl-(3-methylcyclohexen-1-yl)oxysilane
CID 11042446
Silane, [[(4S)-4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]oxy]trimethyl-
CID 11042447

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane (CID 99772921) is tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane is CC(C)(C)[C@@H]1CC=C(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane?
The InChIKey is NHFVDICZNHTNBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H32OSi/c1-15(2,3)13-9-11-14(12-10-13)17-18(7,8)16(4,5)6/h11,13H,9-10,12H2,1-8H3/t13-/m1/s1.
What are the key properties of tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane?
tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane has a molecular weight of 268.52 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S)-4-tert-butylcyclohexen-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 99772921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).