[2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane

C16H34O2S2Si — CID 11002625

IUPAC[2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane
SMILESCOC(CC1SCCCS1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2S2Si/c1-12(2)21(13(3)4,14(5)6)18-15(17-7)11-16-19-9-8-10-20-16/h12-16H,8-11H2,1-7H3
InChIKeyRAKUVALMRSLUKW-UHFFFAOYSA-N
MW350.67 g/mol
LogP5.74
Rot. Bonds8

About [2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane

[2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane (PubChem CID 11002625) has the molecular formula C16H34O2S2Si and a molecular weight of 350.67 g/mol. Its IUPAC name is [2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane
PubChem CID11002625
Molecular FormulaC16H34O2S2Si
Molecular Weight350.67 g/mol
Exact Mass350.18
IUPAC Name[2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane
SMILESCOC(CC1SCCCS1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2S2Si/c1-12(2)21(13(3)4,14(5)6)18-15(17-7)11-16-19-9-8-10-20-16/h12-16H,8-11H2,1-7H3
InChIKeyRAKUVALMRSLUKW-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.67
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 19349487
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CID 14197979
2-(1,3-dithian-2-yl)ethyl-trimethoxysilane
CID 12070525
2-[(2S)-2-methyloctyl]-1,3-dithiane
CID 11447987
(1R)-1-[(4R,5R)-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 10404886
2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane
CID 10517049
2-[(2R,3S)-2-[(4-methoxyphenyl)methoxy]-3-methylpentyl]-1,3-dithiane
CID 10688546
1,3-dithian-2-ylmethyl (2S)-2-amino-3-methylbutanoate
CID 14132523
2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane
CID 11196758
3-(1,3-dithian-2-yl)-N-methylpropan-1-amine
CID 131711356
1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium
CID 10248946

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane?
The IUPAC name of [2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane (CID 11002625) is [2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane is COC(CC1SCCCS1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane?
The InChIKey is RAKUVALMRSLUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2S2Si/c1-12(2)21(13(3)4,14(5)6)18-15(17-7)11-16-19-9-8-10-20-16/h12-16H,8-11H2,1-7H3.
What are the key properties of [2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane?
[2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane has a molecular weight of 350.67 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11002625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).