tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane

C16H32OSi — CID 10516145

IUPACtert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane
SMILES[2H][C@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(C)C)CC[C@H]1C
InChIInChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)11-15(14)17-18(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3/t13-/m1/s1/i11D/t11-,13-
InChIKeyUFUVCDZJDAONMJ-KHIZINBRSA-N
MW269.52 g/mol
LogP5.74
Rot. Bonds3

About tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane

tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane (PubChem CID 10516145) has the molecular formula C16H32OSi and a molecular weight of 269.52 g/mol. Its IUPAC name is tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane
PubChem CID10516145
Molecular FormulaC16H32OSi
Molecular Weight269.52 g/mol
Exact Mass269.23
IUPAC Nametert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane
SMILES[2H][C@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(C)C)CC[C@H]1C
InChIInChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)11-15(14)17-18(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3/t13-/m1/s1/i11D/t11-,13-
InChIKeyUFUVCDZJDAONMJ-KHIZINBRSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
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

Silane, [(2,6-dimethyl-1-cyclohexen-1-yl)oxy]trimethyl-
CID 11367631
1,2-Bis[(trimethylsilyl)oxy]-4-undecylcyclopentene
CID 111403
[1-(2,3-Dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane
CID 135075231
[(6S)-2,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane
CID 11310139
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
(2-Fluoro-4-hex-1-en-2-ylcyclohexen-1-yl)oxy-trimethylsilane
CID 123304026
Trimethyl-(3-methylcyclopentadecen-1-yl)oxysilane
CID 69502889
trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane
CID 10016413
[(6R)-2,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane
CID 10921518
Silane, [(2-methyl-1-cyclohexen-1-yl)oxy]tris(1-methylethyl)-
CID 11076456
[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
CID 11244074
Trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635035

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane (CID 10516145) is tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane is [2H][C@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(C)C)CC[C@H]1C.
What is the InChIKey of tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane?
The InChIKey is UFUVCDZJDAONMJ-KHIZINBRSA-N. The full InChI is InChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)11-15(14)17-18(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3/t13-/m1/s1/i11D/t11-,13-.
What are the key properties of tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane?
tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane has a molecular weight of 269.52 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10516145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).