3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol

C20H26OSSi — CID 11759668

IUPAC3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol
SMILESC[Si](C)(C(CCO)c1ccccc1)C1(Sc2ccccc2)CC1
InChIInChI=1S/C20H26OSSi/c1-23(2,19(13-16-21)17-9-5-3-6-10-17)20(14-15-20)22-18-11-7-4-8-12-18/h3-12,19,21H,13-16H2,1-2H3
InChIKeyAHGCDCSMWPPWSB-UHFFFAOYSA-N
MW342.58 g/mol
LogP5.26
Rot. Bonds7

About 3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol

3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol (PubChem CID 11759668) has the molecular formula C20H26OSSi and a molecular weight of 342.58 g/mol. Its IUPAC name is 3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol
PubChem CID11759668
Molecular FormulaC20H26OSSi
Molecular Weight342.58 g/mol
Exact Mass342.15
IUPAC Name3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol
SMILESC[Si](C)(C(CCO)c1ccccc1)C1(Sc2ccccc2)CC1
InChIInChI=1S/C20H26OSSi/c1-23(2,19(13-16-21)17-9-5-3-6-10-17)20(14-15-20)22-18-11-7-4-8-12-18/h3-12,19,21H,13-16H2,1-2H3
InChIKeyAHGCDCSMWPPWSB-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.58
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
2-Phenyl-2-phenylthioethanol
CID 11264720
(2-(Dimethyl(4-(methylsulfanyl)phenyl)silyl)phenyl)methanol
CID 57416883
Dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane
CID 15262975
3-Phenyl-3-(phenylthio)propan-1-ol
CID 12422970
2-(4-Methylphenyl)sulfanyl-2-phenylethanol
CID 10824220
(Z)-1-phenyl-4-phenylsulfanylpentadec-4-en-3-ol
CID 10001628
1-[Dimethyl(phenyl)silyl]-3-phenylpropan-1-ol
CID 10061713
5-Phenyl-1-phenylsulfanylpent-1-yn-3-ol
CID 10400850
2-(1-Phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
CID 10567599
3-[[1-(Benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol
CID 10894089
(2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol
CID 11012041

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol?
The IUPAC name of 3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol (CID 11759668) is 3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol is C[Si](C)(C(CCO)c1ccccc1)C1(Sc2ccccc2)CC1.
What is the InChIKey of 3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol?
The InChIKey is AHGCDCSMWPPWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OSSi/c1-23(2,19(13-16-21)17-9-5-3-6-10-17)20(14-15-20)22-18-11-7-4-8-12-18/h3-12,19,21H,13-16H2,1-2H3.
What are the key properties of 3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol?
3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol has a molecular weight of 342.58 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol is sourced from PubChem (CID 11759668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).