8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione

C14H18O4 — CID 76524607

IUPAC8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione
SMILESCC1CC2CC(C)(C)C(=O)C2(O)C2=C1COC2=O
InChIInChI=1S/C14H18O4/c1-7-4-8-5-13(2,3)12(16)14(8,17)10-9(7)6-18-11(10)15/h7-8,17H,4-6H2,1-3H3
InChIKeyMABAJDZRQISYRJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.23
Rot. Bonds

About 8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione

8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione (PubChem CID 76524607) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione.

Molecular Properties

Compound Name8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione
PubChem CID76524607
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione
SMILESCC1CC2CC(C)(C)C(=O)C2(O)C2=C1COC2=O
InChIInChI=1S/C14H18O4/c1-7-4-8-5-13(2,3)12(16)14(8,17)10-9(7)6-18-11(10)15/h7-8,17H,4-6H2,1-3H3
InChIKeyMABAJDZRQISYRJ-UHFFFAOYSA-N
XLogP1.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(5-acetyloxy-6,6,9a-trimethyl-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e][2]benzofuran-4-yl)-6,6,9a-trimethyl-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e][2]benzofuran-5-yl] acetate
CID 162898107
(4S,5aR)-4-hydroxy-4,7,7-trimethyl-1,5,5a,6-tetrahydrocyclopenta[e][2]benzofuran-3-one
CID 57404422
bis((4S,4aR,7aS,8R)-4-hydroxy-8-(hydroxymethyl)-6,6,8-trimethyl-3,4,4a,5,7,7a-hexahydrocyclopenta[f][2]benzofuran-1-one);dihydrate
CID 139038171
cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
CID 91620799
(5S,5aS,8aR)-9-chloro-5-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one
CID 10062457
4-hydroxy-4,7,7-trimethyl-3,5,5a,6-tetrahydrocyclopenta[g][2]benzofuran-1-one
CID 76524608
(1S,2S,4S,5R,8R,11S)-5-hydroxy-1,6,6,7,8,17-hexamethyl-3,14-dioxapentacyclo[9.7.0.02,4.02,8.012,16]octadec-12(16)-en-15-one
CID 166656080
(1R,3S,9S,11S,12S,14R,15R,16S,17S,18S)-15-chloro-9,17,18-trihydroxy-11-methyl-16-propan-2-yl-6,13,19-trioxahexacyclo[14.2.1.03,11.04,8.012,14.012,18]nonadec-4(8)-en-7-one
CID 24944429
(4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one
CID 130612042
4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one
CID 130123700
8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 131858050
(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one
CID 10820550

Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione?
The IUPAC name of 8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione (CID 76524607) is 8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione.
What is the SMILES notation for 8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione?
The canonical SMILES for 8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione is CC1CC2CC(C)(C)C(=O)C2(O)C2=C1COC2=O.
What is the InChIKey of 8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione?
The InChIKey is MABAJDZRQISYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-7-4-8-5-13(2,3)12(16)14(8,17)10-9(7)6-18-11(10)15/h7-8,17H,4-6H2,1-3H3.
What are the key properties of 8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione?
8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione has a molecular weight of 250.29 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-4,7,7-trimethyl-4,5,5a,6-tetrahydro-3H-cyclopenta[g][2]benzofuran-1,8-dione is sourced from PubChem (CID 76524607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).