[1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane

C14H22OS2Si — CID 11022916

IUPAC[1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)C1SCCCS1
InChIInChI=1S/C14H22OS2Si/c1-18(2,3)15-13(12-8-5-4-6-9-12)14-16-10-7-11-17-14/h4-6,8-9,13-14H,7,10-11H2,1-3H3
InChIKeyIPYDAVWYQMASAS-UHFFFAOYSA-N
MW298.55 g/mol
LogP4.78
Rot. Bonds4

About [1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane

[1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane (PubChem CID 11022916) has the molecular formula C14H22OS2Si and a molecular weight of 298.55 g/mol. Its IUPAC name is [1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane.

Molecular Properties

Compound Name[1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane
PubChem CID11022916
Molecular FormulaC14H22OS2Si
Molecular Weight298.55 g/mol
Exact Mass298.09
IUPAC Name[1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)C1SCCCS1
InChIInChI=1S/C14H22OS2Si/c1-18(2,3)15-13(12-8-5-4-6-9-12)14-16-10-7-11-17-14/h4-6,8-9,13-14H,7,10-11H2,1-3H3
InChIKeyIPYDAVWYQMASAS-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.55
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Silane, trimethyl(1-phenylethoxy)-
CID 519015
1-Propanol, 1-phenyl, TMS
CID 530376
2-(1,3-Dithian-2-yl)-1-phenylethanol
CID 358342
Trimethyl(1-phenylprop-2-enoxy)silane
CID 262883
4-Trimethylsilyloxy-4-phenylbut-1-ene
CID 553296
(2-Methyl-[1,3]dithian-2-yl)phenylmethanol
CID 583621
Trimethyl(1-phenylbutoxy)silane
CID 13508601
5,5-Dimethyl-2-ethyl-2-phenyl-1,3-oxathiane
CID 21578788
3,3-Bis(methylsulfanyl)-1-phenylpropan-1-ol
CID 101604282
1,3-Dithian-2-yl(phenyl)methanol
CID 11031572
1-Oxa-2-silacyclohex-3-ene, 2,2-dimethyl-6-phenyl-
CID 11401459
2,2,2-Tris(methylsulfanyl)-1-phenylethanol
CID 12292164

Frequently Asked Questions

What is the IUPAC name of [1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane?
The IUPAC name of [1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane (CID 11022916) is [1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane.
What is the SMILES notation for [1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane?
The canonical SMILES for [1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane is C[Si](C)(C)OC(c1ccccc1)C1SCCCS1.
What is the InChIKey of [1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane?
The InChIKey is IPYDAVWYQMASAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS2Si/c1-18(2,3)15-13(12-8-5-4-6-9-12)14-16-10-7-11-17-14/h4-6,8-9,13-14H,7,10-11H2,1-3H3.
What are the key properties of [1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane?
[1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane has a molecular weight of 298.55 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dithian-2-yl(phenyl)methoxy]-trimethylsilane is sourced from PubChem (CID 11022916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).