(3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate

C23H34O4 — CID 557803

IUPAC(3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate
SMILESCC(=O)OC1CCC2C3C(=O)C(C(C)C)C4C(=O)CCC4(C)C3CCC12C
InChIInChI=1S/C23H34O4/c1-12(2)18-20-16(25)9-11-23(20,5)15-8-10-22(4)14(19(15)21(18)26)6-7-17(22)27-13(3)24/h12,14-15,17-20H,6-11H2,1-5H3
InChIKeyOOBVLGVLHSXVPP-UHFFFAOYSA-N
MW374.52 g/mol
LogP4.20
Rot. Bonds2

About (3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate

(3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate (PubChem CID 557803) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is (3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate.

Molecular Properties

Compound Name(3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate
PubChem CID557803
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Name(3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate
SMILESCC(=O)OC1CCC2C3C(=O)C(C(C)C)C4C(=O)CCC4(C)C3CCC12C
InChIInChI=1S/C23H34O4/c1-12(2)18-20-16(25)9-11-23(20,5)15-8-10-22(4)14(19(15)21(18)26)6-7-17(22)27-13(3)24/h12,14-15,17-20H,6-11H2,1-5H3
InChIKeyOOBVLGVLHSXVPP-UHFFFAOYSA-N
XLogP4.20
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate?
The IUPAC name of (3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate (CID 557803) is (3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate.
What is the SMILES notation for (3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate?
The canonical SMILES for (3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate is CC(=O)OC1CCC2C3C(=O)C(C(C)C)C4C(=O)CCC4(C)C3CCC12C.
What is the InChIKey of (3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate?
The InChIKey is OOBVLGVLHSXVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O4/c1-12(2)18-20-16(25)9-11-23(20,5)15-8-10-22(4)14(19(15)21(18)26)6-7-17(22)27-13(3)24/h12,14-15,17-20H,6-11H2,1-5H3.
What are the key properties of (3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate?
(3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate has a molecular weight of 374.52 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3a,5a-dimethyl-1,9-dioxo-10-propan-2-yl-2,3,3b,4,5,6,7,8,8a,8b,10,10a-dodecahydroindeno[5,4-e]inden-6-yl) acetate is sourced from PubChem (CID 557803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).