2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione

C15H20O6 — CID 44631735

IUPAC2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
SMILESCC1=CCC2(C(O)C1=O)C1C(C)COC(=O)C1OC2(C)O
InChIInChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3
InChIKeyOGOHSCJKRSLFLO-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.17
Rot. Bonds

About 2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione

2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione (PubChem CID 44631735) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione.

Molecular Properties

Compound Name2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
PubChem CID44631735
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
SMILESCC1=CCC2(C(O)C1=O)C1C(C)COC(=O)C1OC2(C)O
InChIInChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3
InChIKeyOGOHSCJKRSLFLO-UHFFFAOYSA-N
XLogP0.17
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione with MolForge

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Related Compounds

Cyclocalopin A
CID 10913461
(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
Cyclocalopin B
CID 11825120
(2R,3S,3aR,4S,6'S,7aS)-2,6'-dihydroxy-2'-(methoxymethyl)-2,4-dimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
CID 21575516
(2-Hydroxy-2,3',4-trimethyl-2',7-dioxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,6'-cyclohex-3-ene]-1'-yl) acetate
CID 85362420
O-Acetylcyclocalopin A
CID 11002243
(2R,3S,3aR,4S,5'R,6'S,7aS)-2,5',6'-trihydroxy-1',2,4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,4'-cyclohexene]-7-one
CID 101461293
8-deacetylcyclocalopin B
CID 139589908
Cyclocalopin A-15-OL
CID 139589909
12,15-dimethoxycyclocalopin A
CID 139589910
Papyracon A
CID 10355542
Papyracon D
CID 25079827

Frequently Asked Questions

What is the IUPAC name of 2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione?
The IUPAC name of 2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione (CID 44631735) is 2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione.
What is the SMILES notation for 2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione?
The canonical SMILES for 2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione is CC1=CCC2(C(O)C1=O)C1C(C)COC(=O)C1OC2(C)O.
What is the InChIKey of 2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione?
The InChIKey is OGOHSCJKRSLFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3.
What are the key properties of 2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione?
2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione has a molecular weight of 296.32 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione is sourced from PubChem (CID 44631735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).