1-dodecylanthracene-9,10-dione

C26H32O2 — CID 67664417

IUPAC1-dodecylanthracene-9,10-dione
SMILESCCCCCCCCCCCCc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C26H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-14-19-23-24(20)26(28)22-18-13-12-17-21(22)25(23)27/h12-14,16-19H,2-11,15H2,1H3
InChIKeySREDAXXXPAFTDN-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.93
Rot. Bonds11

About 1-dodecylanthracene-9,10-dione

1-dodecylanthracene-9,10-dione (PubChem CID 67664417) has the molecular formula C26H32O2 and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-dodecylanthracene-9,10-dione.

Molecular Properties

Compound Name1-dodecylanthracene-9,10-dione
PubChem CID67664417
Molecular FormulaC26H32O2
Molecular Weight376.54 g/mol
Exact Mass376.24
IUPAC Name1-dodecylanthracene-9,10-dione
SMILESCCCCCCCCCCCCc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C26H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-14-19-23-24(20)26(28)22-18-13-12-17-21(22)25(23)27/h12-14,16-19H,2-11,15H2,1H3
InChIKeySREDAXXXPAFTDN-UHFFFAOYSA-N
XLogP6.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-decylanthracene-9,10-dione
CID 139845419
1-butylfluoren-9-one
CID 14598470
2-pentyl-1-sulfanylanthracene-9,10-dione
CID 70467498
1,2-dihexylanthracene-9,10-dione;thiophene
CID 159808201
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
1-hexyl-2,3-diphenylbenzene
CID 54065322
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-ethyl-2-henicosylbenzene
CID 141174443

Frequently Asked Questions

What is the IUPAC name of 1-dodecylanthracene-9,10-dione?
The IUPAC name of 1-dodecylanthracene-9,10-dione (CID 67664417) is 1-dodecylanthracene-9,10-dione.
What is the SMILES notation for 1-dodecylanthracene-9,10-dione?
The canonical SMILES for 1-dodecylanthracene-9,10-dione is CCCCCCCCCCCCc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-dodecylanthracene-9,10-dione?
The InChIKey is SREDAXXXPAFTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-14-19-23-24(20)26(28)22-18-13-12-17-21(22)25(23)27/h12-14,16-19H,2-11,15H2,1H3.
What are the key properties of 1-dodecylanthracene-9,10-dione?
1-dodecylanthracene-9,10-dione has a molecular weight of 376.54 g/mol, XLogP of 6.93, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylanthracene-9,10-dione is sourced from PubChem (CID 67664417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).