3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride

C20H33FO2S — CID 173005252

IUPAC3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCS(=O)(=O)F
InChIInChI=1S/C20H33FO2S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3
InChIKeyLRNRHVPDGQYYMI-UHFFFAOYSA-N
MW356.55 g/mol
LogP6.43
Rot. Bonds11

About 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride

3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride (PubChem CID 173005252) has the molecular formula C20H33FO2S and a molecular weight of 356.55 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride
PubChem CID173005252
Molecular FormulaC20H33FO2S
Molecular Weight356.55 g/mol
Exact Mass356.22
IUPAC Name3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCS(=O)(=O)F
InChIInChI=1S/C20H33FO2S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3
InChIKeyLRNRHVPDGQYYMI-UHFFFAOYSA-N
XLogP6.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride?
The IUPAC name of 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride (CID 173005252) is 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride.
What is the SMILES notation for 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride?
The canonical SMILES for 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCS(=O)(=O)F.
What is the InChIKey of 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride?
The InChIKey is LRNRHVPDGQYYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FO2S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3.
What are the key properties of 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride?
3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride has a molecular weight of 356.55 g/mol, XLogP of 6.43, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-sulfonyl fluoride is sourced from PubChem (CID 173005252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).