8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione

C18H22O4 — CID 177422787

IUPAC8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione
SMILESCCC1(C)C2=C(C(=O)OC2=O)C(C(C)C)=C2C=C(C)OC21C
InChIInChI=1S/C18H22O4/c1-7-17(5)14-13(15(19)21-16(14)20)12(9(2)3)11-8-10(4)22-18(11,17)6/h8-9H,7H2,1-6H3
InChIKeyMDYNVUQUQUDIFW-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.44
Rot. Bonds2

About 8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione

8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione (PubChem CID 177422787) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione.

Molecular Properties

Compound Name8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione
PubChem CID177422787
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione
SMILESCCC1(C)C2=C(C(=O)OC2=O)C(C(C)C)=C2C=C(C)OC21C
InChIInChI=1S/C18H22O4/c1-7-17(5)14-13(15(19)21-16(14)20)12(9(2)3)11-8-10(4)22-18(11,17)6/h8-9H,7H2,1-6H3
InChIKeyMDYNVUQUQUDIFW-UHFFFAOYSA-N
XLogP3.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione with MolForge

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Related Compounds

hiiranlactone C
CID 52912460
7,7a-Dihydro-2,4,7,7,7a-pentamethylbenzo(b)furan-5,6-dicarboxylic anhydride
CID 14716578
Methyl 2-(6-ethenyl-3,6-dimethyl-2-oxo-4,5-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 14587118
[(3aS,7aS)-7-methyl-3a-(4-methylpent-3-enyl)-3-oxo-1,7a-dihydro-2-benzofuran-5-yl] acetate
CID 10913278
methyl 2-[(5R,6R)-6-ethenyl-3,6-dimethyl-2-oxo-4,5-dihydro-1-benzofuran-5-yl]prop-2-enoate
CID 642904
4,4-Diethyl-11-methyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione
CID 12027690
2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one
CID 15855951
(3Z)-3-butylidene-6-methyl-6-propylspiro[4,5,5a,7a-tetrahydrocyclobuta[g][2]benzofuran-7,3'-4,5-dihydro-2-benzofuran]-1,1'-dione
CID 59146381
(8aS)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione
CID 59164119
3-(5-Hydroxy-2,3,4,4,6-pentamethyl-1-benzofuran-2-yl)propanoic acid
CID 67637219
4-Hexanoyloxy-2,6,6-trimethylcyclohexa-2,4-diene-1-carboxylic acid
CID 68544123
3-Butylidene-6-methyl-6-propylspiro[4,5,5a,7a-tetrahydrocyclobuta[g][2]benzofuran-7,3'-4,5-dihydro-2-benzofuran]-1,1'-dione
CID 72528393

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione?
The IUPAC name of 8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione (CID 177422787) is 8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione.
What is the SMILES notation for 8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione?
The canonical SMILES for 8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione is CCC1(C)C2=C(C(=O)OC2=O)C(C(C)C)=C2C=C(C)OC21C.
What is the InChIKey of 8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione?
The InChIKey is MDYNVUQUQUDIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-7-17(5)14-13(15(19)21-16(14)20)12(9(2)3)11-8-10(4)22-18(11,17)6/h8-9H,7H2,1-6H3.
What are the key properties of 8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione?
8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione has a molecular weight of 302.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,8,8a-trimethyl-4-propan-2-ylfuro[3,4-f][1]benzofuran-5,7-dione is sourced from PubChem (CID 177422787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).