5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one

C24H36O3 — CID 144537351

IUPAC5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one
SMILESCC1COC2(CCC3C4CCC5(C)CCCCC5(C)C4=CC(=O)C32C)OC1
InChIInChI=1S/C24H36O3/c1-16-14-26-24(27-15-16)12-8-18-17-7-11-21(2)9-5-6-10-22(21,3)19(17)13-20(25)23(18,24)4/h13,16-18H,5-12,14-15H2,1-4H3
InChIKeyHMJWRAJNHHBGPG-UHFFFAOYSA-N
MW372.55 g/mol
LogP5.29
Rot. Bonds

About 5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one

5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one (PubChem CID 144537351) has the molecular formula C24H36O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is 5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one.

Molecular Properties

Compound Name5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one
PubChem CID144537351
Molecular FormulaC24H36O3
Molecular Weight372.55 g/mol
Exact Mass372.27
IUPAC Name5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one
SMILESCC1COC2(CCC3C4CCC5(C)CCCCC5(C)C4=CC(=O)C32C)OC1
InChIInChI=1S/C24H36O3/c1-16-14-26-24(27-15-16)12-8-18-17-7-11-21(2)9-5-6-10-22(21,3)19(17)13-20(25)23(18,24)4/h13,16-18H,5-12,14-15H2,1-4H3
InChIKeyHMJWRAJNHHBGPG-UHFFFAOYSA-N
XLogP5.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one 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 5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one?
The IUPAC name of 5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one (CID 144537351) is 5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one.
What is the SMILES notation for 5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one?
The canonical SMILES for 5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one is CC1COC2(CCC3C4CCC5(C)CCCCC5(C)C4=CC(=O)C32C)OC1.
What is the InChIKey of 5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one?
The InChIKey is HMJWRAJNHHBGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O3/c1-16-14-26-24(27-15-16)12-8-18-17-7-11-21(2)9-5-6-10-22(21,3)19(17)13-20(25)23(18,24)4/h13,16-18H,5-12,14-15H2,1-4H3.
What are the key properties of 5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one?
5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one has a molecular weight of 372.55 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5',10,13-tetramethylspiro[1,2,3,4,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-12-one is sourced from PubChem (CID 144537351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).