(9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate

C24H34O8 — CID 163883923

IUPAC(9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate
SMILESCCOC1C(=O)OC2C3OC4(OC3OC12)C1CC2CC4CC(COC(=O)C(C)(C)C)(C2)C1
InChIInChI=1S/C24H34O8/c1-5-27-17-15-16(29-19(17)25)18-20(30-15)32-24(31-18)13-6-12-7-14(24)10-23(8-12,9-13)11-28-21(26)22(2,3)4/h12-18,20H,5-11H2,1-4H3
InChIKeyOAUMLEGNGZVIJF-UHFFFAOYSA-N
MW450.53 g/mol
LogP2.57
Rot. Bonds4

About (9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate

(9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate (PubChem CID 163883923) has the molecular formula C24H34O8 and a molecular weight of 450.53 g/mol. Its IUPAC name is (9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate
PubChem CID163883923
Molecular FormulaC24H34O8
Molecular Weight450.53 g/mol
Exact Mass450.23
IUPAC Name(9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate
SMILESCCOC1C(=O)OC2C3OC4(OC3OC12)C1CC2CC4CC(COC(=O)C(C)(C)C)(C2)C1
InChIInChI=1S/C24H34O8/c1-5-27-17-15-16(29-19(17)25)18-20(30-15)32-24(31-18)13-6-12-7-14(24)10-23(8-12,9-13)11-28-21(26)22(2,3)4/h12-18,20H,5-11H2,1-4H3
InChIKeyOAUMLEGNGZVIJF-UHFFFAOYSA-N
XLogP2.57
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate 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

[9-(1-ethoxyethoxy)-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl]methyl 2,2-dimethylpropanoate;(2-ethylcyclopentyl) 3-(2,2-dimethylpropanoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(2-propan-2-ylcyclopentyl) 3-(2,2-dimethylpropanoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 167694507
2-(9-acetyloxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)oxy-1,1-difluoro-2-oxoethanesulfonate
CID 169026957
[9-(1-ethoxyethoxy)-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 169026994
(2',10-dioxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-oxolane]-9-yl) 2,2-dimethylbutanoate
CID 58445669
[1'-[(2-hydroxy-2-methylpropanoyl)oxymethyl]-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate
CID 163529629
[4-(adamantane-1-carbonyloxymethyl)-1'-(2,2-dimethylpropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate
CID 174246388
[5-(adamantane-1-carbonyloxymethyl)-1'-[(2-hydroxy-2-methylpropanoyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate
CID 163529630
1-adamantylmethyl 2-bromo-2-methylpropanoate
CID 102412153
2,2,2-trifluoroethyl 9-(2,2-dimethylbutanoyloxy)-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate
CID 89458653
(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-(hydroxymethyl)-2-methylbutanoate
CID 59711435
1-adamantylmethyl 2-fluoro-2-methylpropanoate
CID 59602420
1-adamantylmethyl 2-chloro-2-methylpropanoate
CID 169075793

Frequently Asked Questions

What is the IUPAC name of (9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate (CID 163883923) is (9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate is CCOC1C(=O)OC2C3OC4(OC3OC12)C1CC2CC4CC(COC(=O)C(C)(C)C)(C2)C1.
What is the InChIKey of (9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is OAUMLEGNGZVIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O8/c1-5-27-17-15-16(29-19(17)25)18-20(30-15)32-24(31-18)13-6-12-7-14(24)10-23(8-12,9-13)11-28-21(26)22(2,3)4/h12-18,20H,5-11H2,1-4H3.
What are the key properties of (9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate?
(9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 450.53 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethoxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-adamantane]-1'-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 163883923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).