tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane

C19H32O2SSi — CID 101158709

IUPACtert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane
SMILESCC/C(=C/S(=O)c1ccc(C)cc1)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O2SSi/c1-8-17(13-14-21-23(6,7)19(3,4)5)15-22(20)18-11-9-16(2)10-12-18/h9-12,15H,8,13-14H2,1-7H3/b17-15-
InChIKeyFUYSIBYOUCPFQK-ICFOKQHNSA-N
MW352.62 g/mol
LogP5.81
Rot. Bonds7

About tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane

tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane (PubChem CID 101158709) has the molecular formula C19H32O2SSi and a molecular weight of 352.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane
PubChem CID101158709
Molecular FormulaC19H32O2SSi
Molecular Weight352.62 g/mol
Exact Mass352.19
IUPAC Nametert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane
SMILESCC/C(=C/S(=O)c1ccc(C)cc1)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O2SSi/c1-8-17(13-14-21-23(6,7)19(3,4)5)15-22(20)18-11-9-16(2)10-12-18/h9-12,15H,8,13-14H2,1-7H3/b17-15-
InChIKeyFUYSIBYOUCPFQK-ICFOKQHNSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.62
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3,4-bis[(4-methylphenyl)sulfinyl]but-3-enoxy]-tert-butyl-dimethylsilane
CID 12066078
tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane
CID 24881766
tert-butyl-[(E)-4-iodo-4-[(S)-(4-methylphenyl)sulfinyl]but-3-enoxy]-dimethylsilane
CID 25139104
tert-butyl-dimethyl-[(E)-4-[(S)-(4-methylphenyl)sulfinyl]-4-tributylstannylbut-3-enoxy]silane
CID 25139411
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-(4-methylphenyl)sulfinylhex-3-en-2-ol
CID 134930775
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfinylhex-5-en-3-one
CID 102330504
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
(6Z)-6-[[(R)-(4-methylphenyl)sulfinyl]methylidene]decan-5-one
CID 53305514
triethyl-[(Z)-3-methyl-4-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]oxysilane
CID 53306489
[2-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuterioethyl] 4-methylbenzenesulfonate
CID 169435361
tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane
CID 163904820

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane (CID 101158709) is tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane is CC/C(=C/S(=O)c1ccc(C)cc1)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane?
The InChIKey is FUYSIBYOUCPFQK-ICFOKQHNSA-N. The full InChI is InChI=1S/C19H32O2SSi/c1-8-17(13-14-21-23(6,7)19(3,4)5)15-22(20)18-11-9-16(2)10-12-18/h9-12,15H,8,13-14H2,1-7H3/b17-15-.
What are the key properties of tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane?
tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane has a molecular weight of 352.62 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3Z)-3-[(4-methylphenyl)sulfinylmethylidene]pentoxy]silane is sourced from PubChem (CID 101158709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).