1-(4-methylpent-1-enyl)anthracene-9,10-dione

C20H18O2 — CID 154401488

IUPAC1-(4-methylpent-1-enyl)anthracene-9,10-dione
SMILESCC(C)CC=Cc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H18O2/c1-13(2)7-5-8-14-9-6-12-17-18(14)20(22)16-11-4-3-10-15(16)19(17)21/h3-6,8-13H,7H2,1-2H3
InChIKeySHVKOEFVRMTMSF-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.52
Rot. Bonds3

About 1-(4-methylpent-1-enyl)anthracene-9,10-dione

1-(4-methylpent-1-enyl)anthracene-9,10-dione (PubChem CID 154401488) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(4-methylpent-1-enyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(4-methylpent-1-enyl)anthracene-9,10-dione
PubChem CID154401488
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1-(4-methylpent-1-enyl)anthracene-9,10-dione
SMILESCC(C)CC=Cc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H18O2/c1-13(2)7-5-8-14-9-6-12-17-18(14)20(22)16-11-4-3-10-15(16)19(17)21/h3-6,8-13H,7H2,1-2H3
InChIKeySHVKOEFVRMTMSF-UHFFFAOYSA-N
XLogP4.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-phenylethenyl]fluoren-9-one
CID 101038243
2-(4-methylpent-1-enyl)benzonitrile
CID 174854494
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
1-(1-bromoethyl)anthracene-9,10-dione
CID 23511068
1-propan-2-ylsulfanylanthracene-9,10-dione
CID 70427473
1-(3-methyl-2-oxobutyl)anthracene-9,10-dione
CID 143724181
anthracene-9,10-dione;propane
CID 162068050
1,5-bis[2-(4-nitrophenyl)ethenyl]anthracene-9,10-dione
CID 71408520
1-(methyldiazenyl)anthracene-9,10-dione
CID 58592242
1-dodecylanthracene-9,10-dione
CID 67664417
4-but-1-enylisoindole-1,3-dione
CID 70126944
1-hydroxy-2-(2-methylpropyl)anthracene-9,10-dione
CID 10516857

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpent-1-enyl)anthracene-9,10-dione?
The IUPAC name of 1-(4-methylpent-1-enyl)anthracene-9,10-dione (CID 154401488) is 1-(4-methylpent-1-enyl)anthracene-9,10-dione.
What is the SMILES notation for 1-(4-methylpent-1-enyl)anthracene-9,10-dione?
The canonical SMILES for 1-(4-methylpent-1-enyl)anthracene-9,10-dione is CC(C)CC=Cc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(4-methylpent-1-enyl)anthracene-9,10-dione?
The InChIKey is SHVKOEFVRMTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-13(2)7-5-8-14-9-6-12-17-18(14)20(22)16-11-4-3-10-15(16)19(17)21/h3-6,8-13H,7H2,1-2H3.
What are the key properties of 1-(4-methylpent-1-enyl)anthracene-9,10-dione?
1-(4-methylpent-1-enyl)anthracene-9,10-dione has a molecular weight of 290.36 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-1-enyl)anthracene-9,10-dione is sourced from PubChem (CID 154401488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).