[(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene

C32H42O4S2 — CID 141048309

IUPAC[(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene
SMILESC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CCC=C(C)C)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H42O4S2/c1-7-27(4)17-15-19-29(6)25-32(24-28(5)18-14-16-26(2)3,37(33,34)30-20-10-8-11-21-30)38(35,36)31-22-12-9-13-23-31/h7-13,16,19-24H,14-15,17-18,25H2,1-6H3/b27-7+,28-24+,29-19+
InChIKeyPFCLVAZKDPZCMX-PWBJOKKRSA-N
MW554.82 g/mol
LogP8.41
Rot. Bonds13

About [(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene

[(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene (PubChem CID 141048309) has the molecular formula C32H42O4S2 and a molecular weight of 554.82 g/mol. Its IUPAC name is [(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene.

Molecular Properties

Compound Name[(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene
PubChem CID141048309
Molecular FormulaC32H42O4S2
Molecular Weight554.82 g/mol
Exact Mass554.25
IUPAC Name[(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene
SMILESC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CCC=C(C)C)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H42O4S2/c1-7-27(4)17-15-19-29(6)25-32(24-28(5)18-14-16-26(2)3,37(33,34)30-20-10-8-11-21-30)38(35,36)31-22-12-9-13-23-31/h7-13,16,19-24H,14-15,17-18,25H2,1-6H3/b27-7+,28-24+,29-19+
InChIKeyPFCLVAZKDPZCMX-PWBJOKKRSA-N
XLogP8.41
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.82
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 24813181
[(8E)-9,13-dimethyltetradeca-8,12-dien-4-yn-2-yl]sulfonylbenzene
CID 156720953
(6E)-2,6-dimethylocta-2,6-diene
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ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
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[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] benzenesulfonate
CID 89466477
(3-chloro-5-methylhex-4-en-3-yl)sulfonylbenzene
CID 13200831
(2R)-2-(benzenesulfonamido)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
CID 54580569
[(2E,6E,10E,14E,18E)-1-bromo-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]sulfonylbenzene;ethane
CID 144605858
[(2E,6E)-8-bromo-2,6-dimethylocta-2,6-dienyl]sulfonylbenzene
CID 171422851
10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol
CID 71349271
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Frequently Asked Questions

What is the IUPAC name of [(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene?
The IUPAC name of [(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene (CID 141048309) is [(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene.
What is the SMILES notation for [(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene?
The canonical SMILES for [(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene is C/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CCC=C(C)C)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene?
The InChIKey is PFCLVAZKDPZCMX-PWBJOKKRSA-N. The full InChI is InChI=1S/C32H42O4S2/c1-7-27(4)17-15-19-29(6)25-32(24-28(5)18-14-16-26(2)3,37(33,34)30-20-10-8-11-21-30)38(35,36)31-22-12-9-13-23-31/h7-13,16,19-24H,14-15,17-18,25H2,1-6H3/b27-7+,28-24+,29-19+.
What are the key properties of [(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene?
[(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene has a molecular weight of 554.82 g/mol, XLogP of 8.41, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,10E,14E)-8-(benzenesulfonyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]sulfonylbenzene is sourced from PubChem (CID 141048309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).