tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane

C16H32OSi — CID 100917080

IUPACtert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane
SMILESCC(C)[C@H]1CC[C@@H](C)C=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)11-15(14)17-18(7,8)16(4,5)6/h11-14H,9-10H2,1-8H3/t13-,14-/m1/s1
InChIKeyRWUXKTHOHHQGLO-ZIAGYGMSSA-N
MW268.52 g/mol
LogP5.59
Rot. Bonds3

About tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane

tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane (PubChem CID 100917080) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane
PubChem CID100917080
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane
SMILESCC(C)[C@H]1CC[C@@H](C)C=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-12(2)14-10-9-13(3)11-15(14)17-18(7,8)16(4,5)6/h11-14H,9-10H2,1-8H3/t13-,14-/m1/s1
InChIKeyRWUXKTHOHHQGLO-ZIAGYGMSSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.59
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

(1R,4S)-2-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-2-en-7-one
CID 102463309
(1R,7S,10R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-11-methyl-10-propan-2-ylbicyclo[5.3.1]undec-8-en-3-yn-2-one
CID 101384486
2-[tert-butyl(dimethyl)silyl]oxy-7-prop-1-en-2-ylbicyclo[2.2.1]hept-2-en-7-ol
CID 102565685
(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 72711441
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-ol
CID 124636580
tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane
CID 177446377
tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane
CID 102522757
(1S,6S,7R)-7-[tert-butyl(dimethyl)silyl]-9-[tert-butyl(dimethyl)silyl]oxy-11-hydroxybicyclo[4.3.2]undec-8-en-10-one
CID 101188376
(3R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-phenoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
CID 102001077
(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol
CID 10989636
tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane
CID 22447738

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane (CID 100917080) is tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane is CC(C)[C@H]1CC[C@@H](C)C=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane?
The InChIKey is RWUXKTHOHHQGLO-ZIAGYGMSSA-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/h11-14H,9-10H2,1-8H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane?
tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane has a molecular weight of 268.52 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane is sourced from PubChem (CID 100917080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).