6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione

C20H24O2 — CID 57083921

IUPAC6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESCCCCCCc1ccc2c(c1)C(=O)C1=C(CCCC1)C2=O
InChIInChI=1S/C20H24O2/c1-2-3-4-5-8-14-11-12-17-18(13-14)20(22)16-10-7-6-9-15(16)19(17)21/h11-13H,2-10H2,1H3
InChIKeyRPFLEMAESUTYNE-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.06
Rot. Bonds5

About 6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione

6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione (PubChem CID 57083921) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione.

Molecular Properties

Compound Name6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione
PubChem CID57083921
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESCCCCCCc1ccc2c(c1)C(=O)C1=C(CCCC1)C2=O
InChIInChI=1S/C20H24O2/c1-2-3-4-5-8-14-11-12-17-18(13-14)20(22)16-10-7-6-9-15(16)19(17)21/h11-13H,2-10H2,1H3
InChIKeyRPFLEMAESUTYNE-UHFFFAOYSA-N
XLogP5.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.06
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

2-octylanthracene-9,10-dione
CID 141254876
5-octyl-2,3-dihydroinden-1-one
CID 67248522
3,9-dihexyl-12,14-dihydropentacene-5,7-dione
CID 23586534
2-pentylanthracene-9,10-dione;triphenylphosphane
CID 159934357
anthracene-9,10-dione;1-chloroanthracene-9,10-dione;2-pentylanthracene-9,10-dione
CID 174787165
5-hexyl-2-(2-methylpropyl)isoindole-1,3-dione
CID 91233618
2-methyl-7-propylanthracene-9,10-dione
CID 118026365
2-propylanthracene-9,10-dione
CID 22643716
6-butyl-2,3-dihydrochromen-4-one
CID 66595033
1-butyl-4-nonylbenzene
CID 59545302
5-dodecyl-2-prop-1-ynoxyindene-1,3-dione
CID 139642925
2-(4,8-dimethylnonyl)-7-propylanthracene-9,10-dione
CID 134297767

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione?
The IUPAC name of 6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione (CID 57083921) is 6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione.
What is the SMILES notation for 6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione?
The canonical SMILES for 6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione is CCCCCCc1ccc2c(c1)C(=O)C1=C(CCCC1)C2=O.
What is the InChIKey of 6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione?
The InChIKey is RPFLEMAESUTYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-2-3-4-5-8-14-11-12-17-18(13-14)20(22)16-10-7-6-9-15(16)19(17)21/h11-13H,2-10H2,1H3.
What are the key properties of 6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione?
6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione has a molecular weight of 296.41 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione is sourced from PubChem (CID 57083921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).