tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane

C30H50OSSi — CID 15040851

IUPACtert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(\Sc1ccccc1)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C30H50OSSi/c1-22(2)28(31-33(10,11)30(7,8)9)23(3)21-27(32-26-15-13-12-14-16-26)24-17-19-25(20-18-24)29(4,5)6/h12-17,21-23,25,28H,18-20H2,1-11H3/b27-21-/t23-,25?,28+/m0/s1
InChIKeyLIHFLFHTSUVCTJ-VAPWPAGPSA-N
MW486.88 g/mol
LogP10.12
Rot. Bonds8

About tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane (PubChem CID 15040851) has the molecular formula C30H50OSSi and a molecular weight of 486.88 g/mol. Its IUPAC name is tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
PubChem CID15040851
Molecular FormulaC30H50OSSi
Molecular Weight486.88 g/mol
Exact Mass486.34
IUPAC Nametert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(\Sc1ccccc1)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C30H50OSSi/c1-22(2)28(31-33(10,11)30(7,8)9)23(3)21-27(32-26-15-13-12-14-16-26)24-17-19-25(20-18-24)29(4,5)6/h12-17,21-23,25,28H,18-20H2,1-11H3/b27-21-/t23-,25?,28+/m0/s1
InChIKeyLIHFLFHTSUVCTJ-VAPWPAGPSA-N
XLogP10.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.88
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(Z,3R,4S)-2,4-dimethyl-6-phenyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
CID 11026321
tert-butyl-[(Z,3R,4S)-2,4-dimethyl-6-phenylsulfanyldodec-5-en-7-yn-3-yl]oxy-dimethylsilane
CID 11091298
Tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane
CID 12061429
(4-Tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane
CID 13280416
Trimethyl-[[3-methyl-2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane
CID 14961477
[(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane
CID 15406677
tert-butyl-dimethyl-[2-[(1R,6S)-3-methyl-6-phenylsulfanylcyclohex-3-en-1-yl]ethoxy]silane
CID 132942045
(R)-tert-butyl((3-((4-(tert-butyl)phenyl)thio)penta-1,4-dien-2-yl)oxy)dimethylsilane
CID 134813804
tert-butyl-[(Z,3R,4S)-6-cyclohexa-1,5-dien-1-yl-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
CID 135007886
bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
CID 135076477
tert-butyl-dimethyl-[(1R,2R)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane
CID 10066237
triethyl-[(1S,2S)-2-methyl-5-phenylsulfanylcyclohepta-3,5-dien-1-yl]oxysilane
CID 56933457

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane (CID 15040851) is tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane is CC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(\Sc1ccccc1)C1=CCC(C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is LIHFLFHTSUVCTJ-VAPWPAGPSA-N. The full InChI is InChI=1S/C30H50OSSi/c1-22(2)28(31-33(10,11)30(7,8)9)23(3)21-27(32-26-15-13-12-14-16-26)24-17-19-25(20-18-24)29(4,5)6/h12-17,21-23,25,28H,18-20H2,1-11H3/b27-21-/t23-,25?,28+/m0/s1.
What are the key properties of tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 486.88 g/mol, XLogP of 10.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 15040851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).