(Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol

C20H34OSSi — CID 135020766

IUPAC(Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol
SMILESCCCCC(O)/C(=C/[Si](CC)(CC)CC)CSc1ccccc1
InChIInChI=1S/C20H34OSSi/c1-5-9-15-20(21)18(17-23(6-2,7-3)8-4)16-22-19-13-11-10-12-14-19/h10-14,17,20-21H,5-9,15-16H2,1-4H3/b18-17+
InChIKeyGADLPZPIHKKYRS-ISLYRVAYSA-N
MW350.64 g/mol
LogP6.30
Rot. Bonds11

About (Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol

(Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol (PubChem CID 135020766) has the molecular formula C20H34OSSi and a molecular weight of 350.64 g/mol. Its IUPAC name is (Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol.

Molecular Properties

Compound Name(Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol
PubChem CID135020766
Molecular FormulaC20H34OSSi
Molecular Weight350.64 g/mol
Exact Mass350.21
IUPAC Name(Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol
SMILESCCCCC(O)/C(=C/[Si](CC)(CC)CC)CSc1ccccc1
InChIInChI=1S/C20H34OSSi/c1-5-9-15-20(21)18(17-23(6-2,7-3)8-4)16-22-19-13-11-10-12-14-19/h10-14,17,20-21H,5-9,15-16H2,1-4H3/b18-17+
InChIKeyGADLPZPIHKKYRS-ISLYRVAYSA-N
XLogP6.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 56.30
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

3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
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1-(Phenylsulfanyl)heptan-2-ol
CID 13307674
1-Phenylsulfanylhexan-2-ol
CID 13612740
(2E,6E)-2,6-dimethyl-8-phenylsulfanylocta-2,6-dien-1-ol
CID 68259562
4-Phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
CID 10779007
3-[Dimethyl(phenyl)silyl]-4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
CID 10787862
11-Methoxy-5-methylidene-1-phenylsulfanylundeca-2,6-diyn-4-ol
CID 10852775
tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane
CID 10990080
3-Phenylsulfanyl-1-trimethylsilylbutan-1-ol
CID 11118630
Trimethyl-(2-methylidene-6-phenylsulfanyl-4-trimethylsilyloxyhexyl)silane
CID 11132308
6-Methyl-6-phenylsulfanylhept-1-en-3-ol
CID 11345390

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol?
The IUPAC name of (Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol (CID 135020766) is (Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol.
What is the SMILES notation for (Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol?
The canonical SMILES for (Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol is CCCCC(O)/C(=C/[Si](CC)(CC)CC)CSc1ccccc1.
What is the InChIKey of (Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol?
The InChIKey is GADLPZPIHKKYRS-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H34OSSi/c1-5-9-15-20(21)18(17-23(6-2,7-3)8-4)16-22-19-13-11-10-12-14-19/h10-14,17,20-21H,5-9,15-16H2,1-4H3/b18-17+.
What are the key properties of (Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol?
(Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol has a molecular weight of 350.64 g/mol, XLogP of 6.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol is sourced from PubChem (CID 135020766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).