[(1'S,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 hydrogen carbonate

C15H24O6 — CID 67931876

IUPAC[(1'S,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 hydrogen carbonate
SMILESCC1(C)COC2(C[C@@H]3C[C@@H](O)[C@H](COC(=O)O)[C@@H]3C2)OC1
InChIInChI=1S/C15H24O6/c1-14(2)7-20-15(21-8-14)4-9-3-12(16)11(10(9)5-15)6-19-13(17)18/h9-12,16H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11+,12+/m0/s1
InChIKeyUQSPTXYSTIXQND-IRCOFANPSA-N
MW300.35 g/mol
LogP1.86
Rot. Bonds2

About [(1'S,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 hydrogen carbonate

[(1'S,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 hydrogen carbonate (PubChem CID 67931876) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is [(1'S,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 hydrogen carbonate.

Molecular Properties

Compound Name[(1'S,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 hydrogen carbonate
PubChem CID67931876
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name[(1'S,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 hydrogen carbonate
SMILESCC1(C)COC2(C[C@@H]3C[C@@H](O)[C@H](COC(=O)O)[C@@H]3C2)OC1
InChIInChI=1S/C15H24O6/c1-14(2)7-20-15(21-8-14)4-9-3-12(16)11(10(9)5-15)6-19-13(17)18/h9-12,16H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11+,12+/m0/s1
InChIKeyUQSPTXYSTIXQND-IRCOFANPSA-N
XLogP1.86
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1'S,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 hydrogen carbonate 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 [(1'S,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 hydrogen carbonate?
The IUPAC name of [(1'S,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 hydrogen carbonate (CID 67931876) is [(1'S,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 hydrogen carbonate.
What is the SMILES notation for [(1'S,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 hydrogen carbonate?
The canonical SMILES for [(1'S,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 hydrogen carbonate is CC1(C)COC2(C[C@@H]3C[C@@H](O)[C@H](COC(=O)O)[C@@H]3C2)OC1.
What is the InChIKey of [(1'S,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 hydrogen carbonate?
The InChIKey is UQSPTXYSTIXQND-IRCOFANPSA-N. The full InChI is InChI=1S/C15H24O6/c1-14(2)7-20-15(21-8-14)4-9-3-12(16)11(10(9)5-15)6-19-13(17)18/h9-12,16H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11+,12+/m0/s1.
What are the key properties of [(1'S,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 hydrogen carbonate?
[(1'S,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 hydrogen carbonate has a molecular weight of 300.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'S,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 hydrogen carbonate is sourced from PubChem (CID 67931876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).