[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane

C15H24O2S2Si — CID 10711399

IUPAC[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane
SMILESCOc1ccc(C2([Si](C)(C)C)SCCCS2)cc1OC
InChIInChI=1S/C15H24O2S2Si/c1-16-13-8-7-12(11-14(13)17-2)15(20(3,4)5)18-9-6-10-19-15/h7-8,11H,6,9-10H2,1-5H3
InChIKeySZFZHMPIFLXDLJ-UHFFFAOYSA-N
MW328.58 g/mol
LogP4.60
Rot. Bonds4

About [2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane

[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane (PubChem CID 10711399) has the molecular formula C15H24O2S2Si and a molecular weight of 328.58 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane
PubChem CID10711399
Molecular FormulaC15H24O2S2Si
Molecular Weight328.58 g/mol
Exact Mass328.10
IUPAC Name[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane
SMILESCOc1ccc(C2([Si](C)(C)C)SCCCS2)cc1OC
InChIInChI=1S/C15H24O2S2Si/c1-16-13-8-7-12(11-14(13)17-2)15(20(3,4)5)18-9-6-10-19-15/h7-8,11H,6,9-10H2,1-5H3
InChIKeySZFZHMPIFLXDLJ-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.58
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-pent-4-enyl-1,3-dithiane
CID 71333117
4-[[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-hydroxymethyl]benzonitrile
CID 162359887
2-(3,4-dimethoxyphenyl)-2-methylcyclopropan-1-amine
CID 62387494
2-[1-(3,4-dimethoxyphenyl)cyclopropyl]propan-2-amine
CID 83673806
1-(3,4-dimethoxyphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842265
1-(3,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084119
methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate
CID 66438930
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene
CID 58988277
[5-(3,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methanamine
CID 133180338
5-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidin-3-ium 3-oxide
CID 70352068
(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2384607

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane (CID 10711399) is [2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane is COc1ccc(C2([Si](C)(C)C)SCCCS2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane?
The InChIKey is SZFZHMPIFLXDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S2Si/c1-16-13-8-7-12(11-14(13)17-2)15(20(3,4)5)18-9-6-10-19-15/h7-8,11H,6,9-10H2,1-5H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane?
[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane has a molecular weight of 328.58 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-trimethylsilane is sourced from PubChem (CID 10711399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).