(6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate

C19H26O8 — CID 73118466

IUPAC(6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate
SMILESCC(=O)OC1C(C)=CCC2(C1OC(C)=O)C1C(C)COC(=O)C1OC2(C)O
InChIInChI=1S/C19H26O8/c1-9-6-7-19(16(26-12(4)21)14(9)25-11(3)20)13-10(2)8-24-17(22)15(13)27-18(19,5)23/h6,10,13-16,23H,7-8H2,1-5H3
InChIKeyOAMXBKFTDLDKCN-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.10
Rot. Bonds2

About (6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate

(6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate (PubChem CID 73118466) has the molecular formula C19H26O8 and a molecular weight of 382.41 g/mol. Its IUPAC name is (6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate.

Molecular Properties

Compound Name(6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate
PubChem CID73118466
Molecular FormulaC19H26O8
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name(6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate
SMILESCC(=O)OC1C(C)=CCC2(C1OC(C)=O)C1C(C)COC(=O)C1OC2(C)O
InChIInChI=1S/C19H26O8/c1-9-6-7-19(16(26-12(4)21)14(9)25-11(3)20)13-10(2)8-24-17(22)15(13)27-18(19,5)23/h6,10,13-16,23H,7-8H2,1-5H3
InChIKeyOAMXBKFTDLDKCN-UHFFFAOYSA-N
XLogP1.10
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate 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 (6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate?
The IUPAC name of (6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate (CID 73118466) is (6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate.
What is the SMILES notation for (6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate?
The canonical SMILES for (6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate is CC(=O)OC1C(C)=CCC2(C1OC(C)=O)C1C(C)COC(=O)C1OC2(C)O.
What is the InChIKey of (6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate?
The InChIKey is OAMXBKFTDLDKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O8/c1-9-6-7-19(16(26-12(4)21)14(9)25-11(3)20)13-10(2)8-24-17(22)15(13)27-18(19,5)23/h6,10,13-16,23H,7-8H2,1-5H3.
What are the key properties of (6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate?
(6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate has a molecular weight of 382.41 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate is sourced from PubChem (CID 73118466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).