methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane

C20H30O2S3Si2 — CID 173268340

IUPACmethoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane
SMILESCO[SiH2]C(C)(Cc1ccccc1)SSSC(C)(Cc1ccccc1)[SiH2]OC
InChIInChI=1S/C20H30O2S3Si2/c1-19(26-21-3,15-17-11-7-5-8-12-17)23-25-24-20(2,27-22-4)16-18-13-9-6-10-14-18/h5-14H,15-16,26-27H2,1-4H3
InChIKeyXQNYTGMYSLVDHQ-UHFFFAOYSA-N
MW454.83 g/mol
LogP4.39
Rot. Bonds12

About methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane

methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane (PubChem CID 173268340) has the molecular formula C20H30O2S3Si2 and a molecular weight of 454.83 g/mol. Its IUPAC name is methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane.

Molecular Properties

Compound Namemethoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane
PubChem CID173268340
Molecular FormulaC20H30O2S3Si2
Molecular Weight454.83 g/mol
Exact Mass454.09
IUPAC Namemethoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane
SMILESCO[SiH2]C(C)(Cc1ccccc1)SSSC(C)(Cc1ccccc1)[SiH2]OC
InChIInChI=1S/C20H30O2S3Si2/c1-19(26-21-3,15-17-11-7-5-8-12-17)23-25-24-20(2,27-22-4)16-18-13-9-6-10-14-18/h5-14H,15-16,26-27H2,1-4H3
InChIKeyXQNYTGMYSLVDHQ-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.83
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methoxy-(2-methyl-1-phenylpropan-2-yl)silane
CID 123240735
(2-methoxy-2-methylpropyl)benzene
CID 3842751
1,1-diphenylethyl(methoxy)silane
CID 173081821
[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 66796999
1,1'-biphenyl;tert-butyl(methoxy)silane
CID 161317585
(2-methyl-1-phenylpropan-2-yl)oxy-(trifluoromethyl)silane
CID 174855658
2,2-dimethylpropylbenzene;methanol
CID 157125736
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2,2-dimethylpropylbenzene;1-methoxy-2,2-dimethylpropane;methoxymethane
CID 160968956
(2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate
CID 173057609
(2-ethyl-2-methylbutyl)benzene
CID 123641908
(2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene
CID 140921791

Frequently Asked Questions

What is the IUPAC name of methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane?
The IUPAC name of methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane (CID 173268340) is methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane.
What is the SMILES notation for methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane?
The canonical SMILES for methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane is CO[SiH2]C(C)(Cc1ccccc1)SSSC(C)(Cc1ccccc1)[SiH2]OC.
What is the InChIKey of methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane?
The InChIKey is XQNYTGMYSLVDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2S3Si2/c1-19(26-21-3,15-17-11-7-5-8-12-17)23-25-24-20(2,27-22-4)16-18-13-9-6-10-14-18/h5-14H,15-16,26-27H2,1-4H3.
What are the key properties of methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane?
methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane has a molecular weight of 454.83 g/mol, XLogP of 4.39, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2-[(2-methoxysilyl-1-phenylpropan-2-yl)trisulfanyl]-1-phenylpropan-2-yl]silane is sourced from PubChem (CID 173268340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).