2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione

C26H42O2 — CID 54536347

IUPAC2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione
SMILESCC(=CCC1=CC(=O)C=CC1=O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C26H42O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-24-19-25(27)17-18-26(24)28/h15,17-22H,6-14,16H2,1-5H3
InChIKeyZAAYXWYMKQDIIG-UHFFFAOYSA-N
MW386.62 g/mol
LogP7.40
Rot. Bonds14

About 2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione

2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 54536347) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is 2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID54536347
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Name2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione
SMILESCC(=CCC1=CC(=O)C=CC1=O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C26H42O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-24-19-25(27)17-18-26(24)28/h15,17-22H,6-14,16H2,1-5H3
InChIKeyZAAYXWYMKQDIIG-UHFFFAOYSA-N
XLogP7.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
2-ethyl-6-(3,7,11,15-tetramethylhexadec-2-enyl)benzene-1,4-diol
CID 70000983
CID 160640482
CID 160640482
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]benzene-1,2-diol
CID 19863840
2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione;molecular fluorine;hydrofluoride
CID 158951690
2-(3,7,11,15-tetramethylhexadec-2-enyl)isoindole-1,3-dione
CID 175607133
2-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]isoindole-1,3-dione
CID 164756235
(E)-2,2,5,9,13-pentamethyltetradec-4-ene
CID 58883085

Frequently Asked Questions

What is the IUPAC name of 2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione (CID 54536347) is 2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione is CC(=CCC1=CC(=O)C=CC1=O)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is ZAAYXWYMKQDIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-24-19-25(27)17-18-26(24)28/h15,17-22H,6-14,16H2,1-5H3.
What are the key properties of 2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione?
2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 386.62 g/mol, XLogP of 7.40, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7,11,15-tetramethylhexadec-2-enyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 54536347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).