1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane

C11H22OS2Si — CID 11747435

IUPAC1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane
SMILESC=CC(CC1SCCCS1)O[Si](C)(C)C
InChIInChI=1S/C11H22OS2Si/c1-5-10(12-15(2,3)4)9-11-13-7-6-8-14-11/h5,10-11H,1,6-9H2,2-4H3
InChIKeyNALWRYUYFHEFTJ-UHFFFAOYSA-N
MW262.52 g/mol
LogP3.98
Rot. Bonds5

About 1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane

1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane (PubChem CID 11747435) has the molecular formula C11H22OS2Si and a molecular weight of 262.52 g/mol. Its IUPAC name is 1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane.

Molecular Properties

Compound Name1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane
PubChem CID11747435
Molecular FormulaC11H22OS2Si
Molecular Weight262.52 g/mol
Exact Mass262.09
IUPAC Name1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane
SMILESC=CC(CC1SCCCS1)O[Si](C)(C)C
InChIInChI=1S/C11H22OS2Si/c1-5-10(12-15(2,3)4)9-11-13-7-6-8-14-11/h5,10-11H,1,6-9H2,2-4H3
InChIKeyNALWRYUYFHEFTJ-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane
CID 11336143
[5,5-Bis(methylsulfanyl)-3-trimethylsilyloxypent-1-en-2-yl]-trimethylsilane
CID 11823461
tert-butyl-[(3S,4R)-4-(1,3-dithian-2-yl)pent-1-en-3-yl]oxy-dimethylsilane
CID 53253924
[(E)-3-bromo-1-(2-propyl-1,3-dithian-2-yl)prop-2-enoxy]-trimethylsilane
CID 20390680
tert-butyl-[(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
CID 157938966
5,5-Bis(methylsulfanyl)pent-1-en-3-yloxy-trimethylsilane
CID 11075904

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane?
The IUPAC name of 1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane (CID 11747435) is 1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane.
What is the SMILES notation for 1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane?
The canonical SMILES for 1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane is C=CC(CC1SCCCS1)O[Si](C)(C)C.
What is the InChIKey of 1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane?
The InChIKey is NALWRYUYFHEFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS2Si/c1-5-10(12-15(2,3)4)9-11-13-7-6-8-14-11/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane?
1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane has a molecular weight of 262.52 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithian-2-yl)but-3-en-2-yloxy-trimethylsilane is sourced from PubChem (CID 11747435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).