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

C14H28O2S2Si — CID 10639458

IUPAC[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane
SMILESC[Si](C)(C)C1(CCCCC2OCCO2)SCCCS1
InChIInChI=1S/C14H28O2S2Si/c1-19(2,3)14(17-11-6-12-18-14)8-5-4-7-13-15-9-10-16-13/h13H,4-12H2,1-3H3
InChIKeyFYRGQOOEDICOEP-UHFFFAOYSA-N
MW320.60 g/mol
LogP4.36
Rot. Bonds6

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

[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane (PubChem CID 10639458) has the molecular formula C14H28O2S2Si and a molecular weight of 320.60 g/mol. Its IUPAC name is [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane
PubChem CID10639458
Molecular FormulaC14H28O2S2Si
Molecular Weight320.60 g/mol
Exact Mass320.13
IUPAC Name[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane
SMILESC[Si](C)(C)C1(CCCCC2OCCO2)SCCCS1
InChIInChI=1S/C14H28O2S2Si/c1-19(2,3)14(17-11-6-12-18-14)8-5-4-7-13-15-9-10-16-13/h13H,4-12H2,1-3H3
InChIKeyFYRGQOOEDICOEP-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.60
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-Dithian-2-yl)butyl]-1,3-dioxolane
CID 12169745
Trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane
CID 10710872
[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane
CID 10902863
2-[5-(1,3-Dithian-2-yl)pentyl]-1,3-dioxolane
CID 11832236
2-[3-(2-Methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane
CID 14701599
{2-[({1,4-Dioxaspiro[4.5]decan-2-yl}methyl)sulfanyl]ethyl}trimethylsilane
CID 165481202

Frequently Asked Questions

What is the IUPAC name of [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane?
The IUPAC name of [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane (CID 10639458) is [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane.
What is the SMILES notation for [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane?
The canonical SMILES for [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane is C[Si](C)(C)C1(CCCCC2OCCO2)SCCCS1.
What is the InChIKey of [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane?
The InChIKey is FYRGQOOEDICOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2S2Si/c1-19(2,3)14(17-11-6-12-18-14)8-5-4-7-13-15-9-10-16-13/h13H,4-12H2,1-3H3.
What are the key properties of [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane?
[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane has a molecular weight of 320.60 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane is sourced from PubChem (CID 10639458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).