2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol

C36H50O2 — CID 123850920

IUPAC2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol
SMILESCC(C)=CCCC(C)CCCc1ccc2c(O)c3cc(CCC=C(C)CCCC(C)C)ccc3c(O)c2c1
InChIInChI=1S/C36H50O2/c1-25(2)11-7-13-27(5)15-9-17-29-19-21-31-33(23-29)35(37)32-22-20-30(24-34(32)36(31)38)18-10-16-28(6)14-8-12-26(3)4/h11,16,19-24,26-27,37-38H,7-10,12-15,17-18H2,1-6H3
InChIKeyAFCHFTSWYKECOD-UHFFFAOYSA-N
MW514.79 g/mol
LogP10.81
Rot. Bonds14

About 2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol

2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol (PubChem CID 123850920) has the molecular formula C36H50O2 and a molecular weight of 514.79 g/mol. Its IUPAC name is 2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol.

Molecular Properties

Compound Name2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol
PubChem CID123850920
Molecular FormulaC36H50O2
Molecular Weight514.79 g/mol
Exact Mass514.38
IUPAC Name2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol
SMILESCC(C)=CCCC(C)CCCc1ccc2c(O)c3cc(CCC=C(C)CCCC(C)C)ccc3c(O)c2c1
InChIInChI=1S/C36H50O2/c1-25(2)11-7-13-27(5)15-9-17-29-19-21-31-33(23-29)35(37)32-22-20-30(24-34(32)36(31)38)18-10-16-28(6)14-8-12-26(3)4/h11,16,19-24,26-27,37-38H,7-10,12-15,17-18H2,1-6H3
InChIKeyAFCHFTSWYKECOD-UHFFFAOYSA-N
XLogP10.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.79
LogP ≤ 510.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-4,8-dimethylnon-3-enyl]-7-(4-methylpent-3-enyl)anthracene-9,10-diol
CID 118545812
2-(4,8-dimethylnon-7-enyl)-7-(4-methylpent-3-enyl)anthracene-9,10-diol
CID 118545574
2-(4,8-dimethylnon-7-enyl)-7-(4-methylpentyl)-10-pentan-2-yloxyanthracen-9-ol
CID 123174361
10-[10-methoxy-2-(4-methylpent-3-enyl)-6-(4-methylpentyl)anthracen-9-yl]peroxy-2,7-bis(4-methylpent-3-enyl)anthracen-9-ol
CID 123773215
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-(4,8-dimethylnonyl)anthracene-9,10-dione
CID 118545651
2-(4-methylpentyl)anthracene-9,10-diol
CID 86254465
2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-6-(4-methylpentyl)-1H-anthracene-9,10-diol
CID 134297771
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-(4-methylpentyl)anthracene-9,10-dione
CID 118545562
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-[(E)-4,8-dimethylnon-3-enyl]anthracene-9,10-dione
CID 118545521
(E)-2,6,10,13-tetramethyltetradec-6-ene
CID 58292425
2-methyl-3-[(2E,6E,10E,14E,18Z,22E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,34-heptaenyl]naphthalene-1,4-diol
CID 156905875
2,6,10-trimethylundec-2-ene
CID 14805750

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol?
The IUPAC name of 2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol (CID 123850920) is 2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol.
What is the SMILES notation for 2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol?
The canonical SMILES for 2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol is CC(C)=CCCC(C)CCCc1ccc2c(O)c3cc(CCC=C(C)CCCC(C)C)ccc3c(O)c2c1.
What is the InChIKey of 2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol?
The InChIKey is AFCHFTSWYKECOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50O2/c1-25(2)11-7-13-27(5)15-9-17-29-19-21-31-33(23-29)35(37)32-22-20-30(24-34(32)36(31)38)18-10-16-28(6)14-8-12-26(3)4/h11,16,19-24,26-27,37-38H,7-10,12-15,17-18H2,1-6H3.
What are the key properties of 2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol?
2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol has a molecular weight of 514.79 g/mol, XLogP of 10.81, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnon-3-enyl)-6-(4,8-dimethylnon-7-enyl)anthracene-9,10-diol is sourced from PubChem (CID 123850920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).