(3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione

C15H18O4 — CID 139589725

IUPAC(3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione
SMILESC=C1C(=O)C[C@]2(O)[C@H](O)C3=C(CC(C)(C)C3=O)[C@]12C
InChIInChI=1S/C15H18O4/c1-7-9(16)6-15(19)12(18)10-8(14(7,15)4)5-13(2,3)11(10)17/h12,18-19H,1,5-6H2,2-4H3/t12-,14+,15+/m1/s1
InChIKeyCWYZAAQBQMWCAC-SNPRPXQTSA-N
MW262.30 g/mol
LogP0.92
Rot. Bonds

About (3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione

(3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione (PubChem CID 139589725) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is (3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione.

Molecular Properties

Compound Name(3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione
PubChem CID139589725
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name(3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione
SMILESC=C1C(=O)C[C@]2(O)[C@H](O)C3=C(CC(C)(C)C3=O)[C@]12C
InChIInChI=1S/C15H18O4/c1-7-9(16)6-15(19)12(18)10-8(14(7,15)4)5-13(2,3)11(10)17/h12,18-19H,1,5-6H2,2-4H3/t12-,14+,15+/m1/s1
InChIKeyCWYZAAQBQMWCAC-SNPRPXQTSA-N
XLogP0.92
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-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

Hirsutenol A
CID 636776
Cucumin H
CID 10681203
Hirsutenol D
CID 11637685
Chondrosterin C
CID 139586332
(3R,3aR,4R,7aS)-4-hydroxy-3,3a,5,5-tetramethyl-3,4,7,7a-tetrahydro-1H-cyclopenta[a]pentalene-2,6-dione
CID 15538240
4-hydroxy-3,3a,5,5-tetramethyl-3,4,7,7a-tetrahydro-1H-cyclopenta[a]pentalene-2,6-dione
CID 22297383
Chondrosterin K
CID 139590391
Chondrosterin N
CID 139591698
Chondrosterin O
CID 139591699
Hirsutuminoid Q
CID 170989692
(3R,3aS,4R)-4-hydroxy-3,3a,5,5-tetramethyl-3,4,7,7a-tetrahydro-1H-cyclopenta[a]pentalene-2,6-dione
CID 22297382
4,7,7a-trihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione
CID 73037970

Frequently Asked Questions

What is the IUPAC name of (3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione?
The IUPAC name of (3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione (CID 139589725) is (3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione.
What is the SMILES notation for (3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione?
The canonical SMILES for (3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione is C=C1C(=O)C[C@]2(O)[C@H](O)C3=C(CC(C)(C)C3=O)[C@]12C.
What is the InChIKey of (3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione?
The InChIKey is CWYZAAQBQMWCAC-SNPRPXQTSA-N. The full InChI is InChI=1S/C15H18O4/c1-7-9(16)6-15(19)12(18)10-8(14(7,15)4)5-13(2,3)11(10)17/h12,18-19H,1,5-6H2,2-4H3/t12-,14+,15+/m1/s1.
What are the key properties of (3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione?
(3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione has a molecular weight of 262.30 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7R,7aR)-7,7a-dihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione is sourced from PubChem (CID 139589725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).