N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide

C20H43NO4S2Si2 — CID 10961876

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide
SMILESCC(C)=CCC/C(C)=C/CN(S(=O)(=O)CC[Si](C)(C)C)S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C20H43NO4S2Si2/c1-19(2)11-10-12-20(3)13-14-21(26(22,23)15-17-28(4,5)6)27(24,25)16-18-29(7,8)9/h11,13H,10,12,14-18H2,1-9H3/b20-13+
InChIKeyCHIZMXNSCUJIQT-DEDYPNTBSA-N
MW481.87 g/mol
LogP5.32
Rot. Bonds13

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide (PubChem CID 10961876) has the molecular formula C20H43NO4S2Si2 and a molecular weight of 481.87 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide
PubChem CID10961876
Molecular FormulaC20H43NO4S2Si2
Molecular Weight481.87 g/mol
Exact Mass481.22
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide
SMILESCC(C)=CCC/C(C)=C/CN(S(=O)(=O)CC[Si](C)(C)C)S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C20H43NO4S2Si2/c1-19(2)11-10-12-20(3)13-14-21(26(22,23)15-17-28(4,5)6)27(24,25)16-18-29(7,8)9/h11,13H,10,12,14-18H2,1-9H3/b20-13+
InChIKeyCHIZMXNSCUJIQT-DEDYPNTBSA-N
XLogP5.32
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.87
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-(3,7-dimethyloct-6-enyl)-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide
CID 11762623

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide (CID 10961876) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide is CC(C)=CCC/C(C)=C/CN(S(=O)(=O)CC[Si](C)(C)C)S(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide?
The InChIKey is CHIZMXNSCUJIQT-DEDYPNTBSA-N. The full InChI is InChI=1S/C20H43NO4S2Si2/c1-19(2)11-10-12-20(3)13-14-21(26(22,23)15-17-28(4,5)6)27(24,25)16-18-29(7,8)9/h11,13H,10,12,14-18H2,1-9H3/b20-13+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide has a molecular weight of 481.87 g/mol, XLogP of 5.32, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 10961876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).