1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane

C19H32O3SSi — CID 19774067

IUPAC1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)CC1(CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H32O3SSi/c1-5-24(6-2,7-3)22-17(4)15-19(13-14-19)16-23(20,21)18-11-9-8-10-12-18/h8-12,17H,5-7,13-16H2,1-4H3
InChIKeyVZXWSBZZRLBYSS-UHFFFAOYSA-N
MW368.62 g/mol
LogP5.04
Rot. Bonds10

About 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane

1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane (PubChem CID 19774067) has the molecular formula C19H32O3SSi and a molecular weight of 368.62 g/mol. Its IUPAC name is 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane.

Molecular Properties

Compound Name1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane
PubChem CID19774067
Molecular FormulaC19H32O3SSi
Molecular Weight368.62 g/mol
Exact Mass368.18
IUPAC Name1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)CC1(CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H32O3SSi/c1-5-24(6-2,7-3)22-17(4)15-19(13-14-19)16-23(20,21)18-11-9-8-10-12-18/h8-12,17H,5-7,13-16H2,1-4H3
InChIKeyVZXWSBZZRLBYSS-UHFFFAOYSA-N
XLogP5.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.62
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
(2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 14704706
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
[6-(Benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
CID 14101984
[1-[2-(Benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane
CID 14102001
tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 10380832
(E,3S)-8-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyloct-6-enal
CID 10432506
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane?
The IUPAC name of 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane (CID 19774067) is 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane.
What is the SMILES notation for 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane?
The canonical SMILES for 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane is CC[Si](CC)(CC)OC(C)CC1(CS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane?
The InChIKey is VZXWSBZZRLBYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3SSi/c1-5-24(6-2,7-3)22-17(4)15-19(13-14-19)16-23(20,21)18-11-9-8-10-12-18/h8-12,17H,5-7,13-16H2,1-4H3.
What are the key properties of 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane?
1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane has a molecular weight of 368.62 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane is sourced from PubChem (CID 19774067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).