tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C18H36O3S2Si — CID 11718131

IUPACtert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC2(C)SCCCS2)O1
InChIInChI=1S/C18H36O3S2Si/c1-16(2,3)24(7,8)19-13-15-14(20-17(4,5)21-15)12-18(6)22-10-9-11-23-18/h14-15H,9-13H2,1-8H3/t14-,15-/m1/s1
InChIKeyJTDJNPYSOVMKJT-HUUCEWRRSA-N
MW392.70 g/mol
LogP5.50
Rot. Bonds5

About tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 11718131) has the molecular formula C18H36O3S2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID11718131
Molecular FormulaC18H36O3S2Si
Molecular Weight392.70 g/mol
Exact Mass392.19
IUPAC Nametert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC2(C)SCCCS2)O1
InChIInChI=1S/C18H36O3S2Si/c1-16(2,3)24(7,8)19-13-15-14(20-17(4,5)21-15)12-18(6)22-10-9-11-23-18/h14-15H,9-13H2,1-8H3/t14-,15-/m1/s1
InChIKeyJTDJNPYSOVMKJT-HUUCEWRRSA-N
XLogP5.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.70
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(2S,3S)-1-(1,3-dithian-2-yl)-4-(2-methoxypropan-2-yloxy)-3-methylbutan-2-yl]oxy-dimethylsilane
CID 134878085
Trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane
CID 10710872
[(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 10970122
tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane
CID 11003025
tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-(2-methyl-1,3-dithian-2-yl)butoxy]-dimethylsilane
CID 11004592
[(3aR,4R,6S,7S,7aS)-2,2,6-trimethyl-4-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11152255
[(3aR,4S,6S,7S,7aS)-2,2,6-trimethyl-4-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11302512
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
[(S)-[(4R,5R)-5-[bis(ethylsulfanyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-tert-butyl-dimethylsilane
CID 11477170
tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11717824
[(4R,5S)-5-[(4S,5R)-5-[bis(ethylsulfanyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 21671835
[(3aR,4S,6R,7S,7aR)-2,2,4-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 21772911

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of 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) is tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is CC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC2(C)SCCCS2)O1.
What is the InChIKey of tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is JTDJNPYSOVMKJT-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H36O3S2Si/c1-16(2,3)24(7,8)19-13-15-14(20-17(4,5)21-15)12-18(6)22-10-9-11-23-18/h14-15H,9-13H2,1-8H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 392.70 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11718131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).