1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane

C28H44OS2Si — CID 134877975

IUPAC1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane
SMILESCCCCCCCCC(CC(Sc1ccccc1)Sc1ccccc1)O[Si](C)(C)CCC
InChIInChI=1S/C28H44OS2Si/c1-5-7-8-9-10-13-18-25(29-32(3,4)23-6-2)24-28(30-26-19-14-11-15-20-26)31-27-21-16-12-17-22-27/h11-12,14-17,19-22,25,28H,5-10,13,18,23-24H2,1-4H3
InChIKeyFQKLAFHGTINJJI-UHFFFAOYSA-N
MW488.88 g/mol
LogP10.04
Rot. Bonds17

About 1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane

1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane (PubChem CID 134877975) has the molecular formula C28H44OS2Si and a molecular weight of 488.88 g/mol. Its IUPAC name is 1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane.

Molecular Properties

Compound Name1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane
PubChem CID134877975
Molecular FormulaC28H44OS2Si
Molecular Weight488.88 g/mol
Exact Mass488.26
IUPAC Name1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane
SMILESCCCCCCCCC(CC(Sc1ccccc1)Sc1ccccc1)O[Si](C)(C)CCC
InChIInChI=1S/C28H44OS2Si/c1-5-7-8-9-10-13-18-25(29-32(3,4)23-6-2)24-28(30-26-19-14-11-15-20-26)31-27-21-16-12-17-22-27/h11-12,14-17,19-22,25,28H,5-10,13,18,23-24H2,1-4H3
InChIKeyFQKLAFHGTINJJI-UHFFFAOYSA-N
XLogP10.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.88
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-Bis(phenylsulfanyl)octan-2-ol
CID 12499757
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
1,1-Bis(phenylsulfanyl)undecan-3-ol
CID 10691720
2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane
CID 11068172
2-[Bis(phenylsulfanyl)methoxy]ethyl-trimethylsilane
CID 11739547
3-(t-Butyl-dimethylsiloxy)butyl phenyl sulfide
CID 14807388
Trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 14961450
4,4-Bis(phenylsulfanyl)butoxy-tert-butyl-dimethylsilane
CID 25016402
tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418
trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane
CID 134878963
1,1-Bis(phenylsulfanyl)heptan-2-ol
CID 134881492

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane?
The IUPAC name of 1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane (CID 134877975) is 1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane.
What is the SMILES notation for 1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane?
The canonical SMILES for 1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane is CCCCCCCCC(CC(Sc1ccccc1)Sc1ccccc1)O[Si](C)(C)CCC.
What is the InChIKey of 1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane?
The InChIKey is FQKLAFHGTINJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44OS2Si/c1-5-7-8-9-10-13-18-25(29-32(3,4)23-6-2)24-28(30-26-19-14-11-15-20-26)31-27-21-16-12-17-22-27/h11-12,14-17,19-22,25,28H,5-10,13,18,23-24H2,1-4H3.
What are the key properties of 1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane?
1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane has a molecular weight of 488.88 g/mol, XLogP of 10.04, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane is sourced from PubChem (CID 134877975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).