(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate

C20H33O2S- — CID 58019203

IUPAC(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate
SMILESCC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)S(=O)[O-]
InChIInChI=1S/C20H34O2S/c1-16(2)9-7-11-18(5)13-14-20(23(21)22)15-19(6)12-8-10-17(3)4/h9-10,13,15,20H,7-8,11-12,14H2,1-6H3,(H,21,22)/p-1/b18-13+,19-15+
InChIKeyUQRLTEFOBZDNQJ-HQSZAHFGSA-M
MW337.55 g/mol
LogP6.01
Rot. Bonds10

About (6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate

(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate (PubChem CID 58019203) has the molecular formula C20H33O2S- and a molecular weight of 337.55 g/mol. Its IUPAC name is (6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate.

Molecular Properties

Compound Name(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate
PubChem CID58019203
Molecular FormulaC20H33O2S-
Molecular Weight337.55 g/mol
Exact Mass337.22
IUPAC Name(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate
SMILESCC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)S(=O)[O-]
InChIInChI=1S/C20H34O2S/c1-16(2)9-7-11-18(5)13-14-20(23(21)22)15-19(6)12-8-10-17(3)4/h9-10,13,15,20H,7-8,11-12,14H2,1-6H3,(H,21,22)/p-1/b18-13+,19-15+
InChIKeyUQRLTEFOBZDNQJ-HQSZAHFGSA-M
XLogP6.01
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate?
The IUPAC name of (6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate (CID 58019203) is (6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate.
What is the SMILES notation for (6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate?
The canonical SMILES for (6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate is CC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)S(=O)[O-].
What is the InChIKey of (6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate?
The InChIKey is UQRLTEFOBZDNQJ-HQSZAHFGSA-M. The full InChI is InChI=1S/C20H34O2S/c1-16(2)9-7-11-18(5)13-14-20(23(21)22)15-19(6)12-8-10-17(3)4/h9-10,13,15,20H,7-8,11-12,14H2,1-6H3,(H,21,22)/p-1/b18-13+,19-15+.
What are the key properties of (6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate?
(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate has a molecular weight of 337.55 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8-sulfinate is sourced from PubChem (CID 58019203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).