trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane

C14H28O2S2Si — CID 10710872

IUPACtrimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane
SMILESCC1(CCCC2([Si](C)(C)C)SCCCS2)OCCO1
InChIInChI=1S/C14H28O2S2Si/c1-13(15-9-10-16-13)7-5-8-14(19(2,3)4)17-11-6-12-18-14/h5-12H2,1-4H3
InChIKeyDRCCZAKUPQBMIO-UHFFFAOYSA-N
MW320.60 g/mol
LogP4.36
Rot. Bonds5

About trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane

trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane (PubChem CID 10710872) has the molecular formula C14H28O2S2Si and a molecular weight of 320.60 g/mol. Its IUPAC name is trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane
PubChem CID10710872
Molecular FormulaC14H28O2S2Si
Molecular Weight320.60 g/mol
Exact Mass320.13
IUPAC Nametrimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane
SMILESCC1(CCCC2([Si](C)(C)C)SCCCS2)OCCO1
InChIInChI=1S/C14H28O2S2Si/c1-13(15-9-10-16-13)7-5-8-14(19(2,3)4)17-11-6-12-18-14/h5-12H2,1-4H3
InChIKeyDRCCZAKUPQBMIO-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(1,3-Dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane
CID 10639458
[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane
CID 10902863
(4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11322624
(4S)-4-[3-(1,3-dithian-2-yl)propyl]-2,2-dimethyl-1,3-dioxolane
CID 11322999
tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
CID 11429296
(4R)-4-[3-(1,3-dithian-2-yl)propyl]-2,2-dimethyl-1,3-dioxolane
CID 11436964
tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11717824
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11718131
tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-dithian-2-yl)propan-2-yl]oxy-dimethylsilane
CID 44190691
2-[4-(1,3-Dithian-2-yl)butyl]-2-methyl-1,3-dioxolane
CID 101762768
{2-[({1,4-Dioxaspiro[4.5]decan-2-yl}methyl)sulfanyl]ethyl}trimethylsilane
CID 165481202

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane?
The IUPAC name of trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane (CID 10710872) is trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane.
What is the SMILES notation for trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane?
The canonical SMILES for trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane is CC1(CCCC2([Si](C)(C)C)SCCCS2)OCCO1.
What is the InChIKey of trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane?
The InChIKey is DRCCZAKUPQBMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2S2Si/c1-13(15-9-10-16-13)7-5-8-14(19(2,3)4)17-11-6-12-18-14/h5-12H2,1-4H3.
What are the key properties of trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane?
trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane has a molecular weight of 320.60 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane is sourced from PubChem (CID 10710872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).