[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane

C13H26O2S2Si — CID 10902863

IUPAC[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane
SMILESCC1(C)OC[C@H](CC2([Si](C)(C)C)SCCCS2)O1
InChIInChI=1S/C13H26O2S2Si/c1-12(2)14-10-11(15-12)9-13(18(3,4)5)16-7-6-8-17-13/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyHLJIROYERSXXGM-NSHDSACASA-N
MW306.57 g/mol
LogP3.97
Rot. Bonds3

About [2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane

[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane (PubChem CID 10902863) has the molecular formula C13H26O2S2Si and a molecular weight of 306.57 g/mol. Its IUPAC name is [2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane
PubChem CID10902863
Molecular FormulaC13H26O2S2Si
Molecular Weight306.57 g/mol
Exact Mass306.11
IUPAC Name[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane
SMILESCC1(C)OC[C@H](CC2([Si](C)(C)C)SCCCS2)O1
InChIInChI=1S/C13H26O2S2Si/c1-12(2)14-10-11(15-12)9-13(18(3,4)5)16-7-6-8-17-13/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyHLJIROYERSXXGM-NSHDSACASA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.57
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane with MolForge

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Related Compounds

4-(1,3-Dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11053597
(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 134895134
(4S)-4-[2,2-bis(ethylsulfanyl)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 10753213
4-(1,3-Dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 24812664
(4R)-4-[2,2-bis(ethylsulfanyl)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 100962609
(4S)-2,2-dimethyl-4-[3-(2-methylsulfanyl-1,3-dithian-2-yl)propoxymethyl]-1,3-dioxolane
CID 178960311
(4S)-4-[3-(1,3-dithian-2-yl)propoxymethyl]-2,2-dimethyl-1,3-dioxolane
CID 178960328
[2-[4-(1,3-Dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-trimethylsilane
CID 10639458
Trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane
CID 10710872
tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane
CID 11003025
(4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11020835
(4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11322624

Frequently Asked Questions

What is the IUPAC name of [2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane?
The IUPAC name of [2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane (CID 10902863) is [2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane.
What is the SMILES notation for [2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane?
The canonical SMILES for [2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane is CC1(C)OC[C@H](CC2([Si](C)(C)C)SCCCS2)O1.
What is the InChIKey of [2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane?
The InChIKey is HLJIROYERSXXGM-NSHDSACASA-N. The full InChI is InChI=1S/C13H26O2S2Si/c1-12(2)14-10-11(15-12)9-13(18(3,4)5)16-7-6-8-17-13/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of [2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane?
[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane has a molecular weight of 306.57 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane is sourced from PubChem (CID 10902863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).