tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane

C23H38OSSi — CID 10572512

IUPACtert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane
SMILESCC1=C(CSc2ccccc2)C(C)(C)C(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C23H38OSSi/c1-18-14-15-19(16-24-26(7,8)22(2,3)4)23(5,6)21(18)17-25-20-12-10-9-11-13-20/h9-13,19H,14-17H2,1-8H3
InChIKeyYTOOOENEYKFCFW-UHFFFAOYSA-N
MW390.71 g/mol
LogP7.55
Rot. Bonds6

About tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane

tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane (PubChem CID 10572512) has the molecular formula C23H38OSSi and a molecular weight of 390.71 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane
PubChem CID10572512
Molecular FormulaC23H38OSSi
Molecular Weight390.71 g/mol
Exact Mass390.24
IUPAC Nametert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane
SMILESCC1=C(CSc2ccccc2)C(C)(C)C(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C23H38OSSi/c1-18-14-15-19(16-24-26(7,8)22(2,3)4)23(5,6)21(18)17-25-20-12-10-9-11-13-20/h9-13,19H,14-17H2,1-8H3
InChIKeyYTOOOENEYKFCFW-UHFFFAOYSA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.71
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane
CID 11087634
Trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 14961450
Trimethyl-[[2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane
CID 14961476
Trimethyl-[[3-methyl-2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane
CID 14961477
tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
CID 15040851
[(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
2-[(1R,4aS,8aR)-8-methyl-1-phenylsulfanyl-2,5,6,8a-tetrahydro-1H-naphthalen-4a-yl]ethoxy-tert-butyl-diphenylsilane
CID 134837527
Tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane
CID 135030321
trimethyl-[(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 135050526
tert-butyl-[(3R,4R,5S)-5-butylsulfanyl-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane
CID 154722509

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane (CID 10572512) is tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane is CC1=C(CSc2ccccc2)C(C)(C)C(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane?
The InChIKey is YTOOOENEYKFCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38OSSi/c1-18-14-15-19(16-24-26(7,8)22(2,3)4)23(5,6)21(18)17-25-20-12-10-9-11-13-20/h9-13,19H,14-17H2,1-8H3.
What are the key properties of tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane?
tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane has a molecular weight of 390.71 g/mol, XLogP of 7.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane is sourced from PubChem (CID 10572512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).