1-decylanthracene-9,10-dione

C24H28O2 — CID 139845419

IUPAC1-decylanthracene-9,10-dione
SMILESCCCCCCCCCCc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H28O2/c1-2-3-4-5-6-7-8-9-13-18-14-12-17-21-22(18)24(26)20-16-11-10-15-19(20)23(21)25/h10-12,14-17H,2-9,13H2,1H3
InChIKeyHCQWGMBJMHPPPW-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.15
Rot. Bonds9

About 1-decylanthracene-9,10-dione

1-decylanthracene-9,10-dione (PubChem CID 139845419) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-decylanthracene-9,10-dione.

Molecular Properties

Compound Name1-decylanthracene-9,10-dione
PubChem CID139845419
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name1-decylanthracene-9,10-dione
SMILESCCCCCCCCCCc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H28O2/c1-2-3-4-5-6-7-8-9-13-18-14-12-17-21-22(18)24(26)20-16-11-10-15-19(20)23(21)25/h10-12,14-17H,2-9,13H2,1H3
InChIKeyHCQWGMBJMHPPPW-UHFFFAOYSA-N
XLogP6.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.15
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-dodecylanthracene-9,10-dione
CID 67664417
1-butylfluoren-9-one
CID 14598470
2-pentyl-1-sulfanylanthracene-9,10-dione
CID 70467498
1,2-dihexylanthracene-9,10-dione;thiophene
CID 159808201
1-hexyl-2,3-diphenylbenzene
CID 54065322
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
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-decylanthracene-9,10-dione?
The IUPAC name of 1-decylanthracene-9,10-dione (CID 139845419) is 1-decylanthracene-9,10-dione.
What is the SMILES notation for 1-decylanthracene-9,10-dione?
The canonical SMILES for 1-decylanthracene-9,10-dione is CCCCCCCCCCc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-decylanthracene-9,10-dione?
The InChIKey is HCQWGMBJMHPPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-2-3-4-5-6-7-8-9-13-18-14-12-17-21-22(18)24(26)20-16-11-10-15-19(20)23(21)25/h10-12,14-17H,2-9,13H2,1H3.
What are the key properties of 1-decylanthracene-9,10-dione?
1-decylanthracene-9,10-dione has a molecular weight of 348.49 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylanthracene-9,10-dione is sourced from PubChem (CID 139845419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).