[(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate

C15H24O6 — CID 67897275

IUPAC[(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@H]1O)OCC(C)(C)CO3
InChIInChI=1S/C15H24O6/c1-14(2)7-19-15(20-8-14)5-9-4-11(16)12(10(9)6-15)21-13(17)18-3/h9-12,16H,4-8H2,1-3H3/t9-,10+,11+,12+/m0/s1
InChIKeyHJTRERSXEZBUAW-IRCOFANPSA-N
MW300.35 g/mol
LogP1.70
Rot. Bonds1

About [(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate

[(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate (PubChem CID 67897275) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is [(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate.

Molecular Properties

Compound Name[(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate
PubChem CID67897275
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name[(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@H]1O)OCC(C)(C)CO3
InChIInChI=1S/C15H24O6/c1-14(2)7-19-15(20-8-14)5-9-4-11(16)12(10(9)6-15)21-13(17)18-3/h9-12,16H,4-8H2,1-3H3/t9-,10+,11+,12+/m0/s1
InChIKeyHJTRERSXEZBUAW-IRCOFANPSA-N
XLogP1.70
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate 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

(3'aS,6'aR)-5,5-dimethyl-hexahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-5'-ol
CID 11368129
(1'R,2'S,3'aS,6'aS)-spiro[1,3-dioxolane-2,4'-2,3,3a,5,6,6a-hexahydro-1H-pentalene]-1',2'-diol
CID 90682014
(1'R,2'R,3'aS,6'aS)-5,5-dimethylspiro[1,3-dioxane-2,4'-2,3,3a,5,6,6a-hexahydro-1H-pentalene]-1',2'-diol
CID 90682015
5,5-dimethyl-hexahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-5'-ol
CID 13247525
[(2'R,3'aS,6'aR)-2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] hydrogen carbonate
CID 67896722
[(1'R,2'R,3'aR,6'aS)-2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate
CID 67896935
[(1'R,2'R,3'aS,6'aR)-1'-methoxycarbonyloxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl] acetate
CID 67897220
4-[(1'R,2'R,3'aS,6'aR)-1'-methoxycarbonyloxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]oxy-4-oxobutanoic acid
CID 67897224
[(1'R,2'R,3'aS,6'aR)-1'-ethoxycarbonyloxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl] acetate
CID 67897225
[(1'R,2'R,3'aS,6'aR)-1'-carboxyoxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl] acetate
CID 67897229
[(1'R,2'R,3'aS,6'aR)-1'-methoxycarbonyloxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl] 2-methylpropanoate
CID 67897338
[(1'R,2'R,3'aS,6'aR)-1'-methoxycarbonyloxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl] butanoate
CID 67897345

Frequently Asked Questions

What is the IUPAC name of [(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate?
The IUPAC name of [(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate (CID 67897275) is [(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate.
What is the SMILES notation for [(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate?
The canonical SMILES for [(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate is COC(=O)O[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@H]1O)OCC(C)(C)CO3.
What is the InChIKey of [(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate?
The InChIKey is HJTRERSXEZBUAW-IRCOFANPSA-N. The full InChI is InChI=1S/C15H24O6/c1-14(2)7-19-15(20-8-14)5-9-4-11(16)12(10(9)6-15)21-13(17)18-3/h9-12,16H,4-8H2,1-3H3/t9-,10+,11+,12+/m0/s1.
What are the key properties of [(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate?
[(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate has a molecular weight of 300.35 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'R,2'R,3'aS,6'aR)-2'-hydroxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl] methyl carbonate is sourced from PubChem (CID 67897275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).