2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid

C11H16O5 — CID 3738184

IUPAC2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid
SMILESO=C(O)C1C(O)CC2CC3(CC21)OCCO3
InChIInChI=1S/C11H16O5/c12-8-3-6-4-11(15-1-2-16-11)5-7(6)9(8)10(13)14/h6-9,12H,1-5H2,(H,13,14)
InChIKeyJXGLFABKVAMKBH-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.22
Rot. Bonds1

About 2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid

2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid (PubChem CID 3738184) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid.

Molecular Properties

Compound Name2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid
PubChem CID3738184
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid
SMILESO=C(O)C1C(O)CC2CC3(CC21)OCCO3
InChIInChI=1S/C11H16O5/c12-8-3-6-4-11(15-1-2-16-11)5-7(6)9(8)10(13)14/h6-9,12H,1-5H2,(H,13,14)
InChIKeyJXGLFABKVAMKBH-UHFFFAOYSA-N
XLogP0.22
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid with MolForge

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Related Compounds

(3'aR,6'aR)-3'-(4-hydroxybutyl)spiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydropentalene]-1'-one
CID 90682020
1-[(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]-4-fluorooctan-1-one
CID 56634178
[(2'R,3'S,3'aS,6'aS)-3'-hydroxyspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]-2'-yl]methyl acetate
CID 162411278
(5'S,7'S,8'R)-7'-hydroxyspiro[1,3-dioxolane-2,11'-tricyclo[6.3.0.01,5]undecane]-2'-one
CID 53355433
(3'aS,4'R,5'R,6'aR)-Hexahydro-5'-hydroxy-5,5-dimethyl-spiro[1,3-dioxane-2,2'(1'H)-pentalene]-4'-carboxylic Acid Methyl Ester
CID 11644887
(1'R,2'R,3'aS,6'aR)-2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carbaldehyde
CID 12783071
methyl (3aS,6aR)-2-oxospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-1-carboxylate
CID 13038018
methyl (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'-carboxylate
CID 13038020
(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'-carboxylic acid
CID 13245530
(1SR,5RS)-2-ethoxycarbonyl-7,7-ethylenedioxybicyclo[3.3.0]octan-3-one
CID 14061410
(1R,5S)-7,7-ethylenedioxy-2-ethoxycarbonylbicyclo [3,3,0]octan-3-one
CID 14061411
(1S,5R)-2-ethoxycarbonyl-7,7-ethylenedioxybicyclo[3.3.0]octan-3-one
CID 14061412

Frequently Asked Questions

What is the IUPAC name of 2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid?
The IUPAC name of 2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid (CID 3738184) is 2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid.
What is the SMILES notation for 2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid?
The canonical SMILES for 2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid is O=C(O)C1C(O)CC2CC3(CC21)OCCO3.
What is the InChIKey of 2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid?
The InChIKey is JXGLFABKVAMKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c12-8-3-6-4-11(15-1-2-16-11)5-7(6)9(8)10(13)14/h6-9,12H,1-5H2,(H,13,14).
What are the key properties of 2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid?
2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid has a molecular weight of 228.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carboxylic acid is sourced from PubChem (CID 3738184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).