(1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one

C12H14O7 — CID 135011364

IUPAC(1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
SMILESCC1(C)O[C@H]2O[C@H]3[C@H](O[C@@]4(C=CC(=O)O4)[C@@H]3O)[C@H]2O1
InChIInChI=1S/C12H14O7/c1-11(2)17-8-6-7(15-10(8)19-11)9(14)12(18-6)4-3-5(13)16-12/h3-4,6-10,14H,1-2H3/t6-,7-,8+,9+,10+,12-/m0/s1
InChIKeyDVDHDDQJYLQXIH-JKYMVTTMSA-N
MW270.24 g/mol
LogP-0.57
Rot. Bonds

About (1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one

(1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one (PubChem CID 135011364) has the molecular formula C12H14O7 and a molecular weight of 270.24 g/mol. Its IUPAC name is (1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one.

Molecular Properties

Compound Name(1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
PubChem CID135011364
Molecular FormulaC12H14O7
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Name(1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
SMILESCC1(C)O[C@H]2O[C@H]3[C@H](O[C@@]4(C=CC(=O)O4)[C@@H]3O)[C@H]2O1
InChIInChI=1S/C12H14O7/c1-11(2)17-8-6-7(15-10(8)19-11)9(14)12(18-6)4-3-5(13)16-12/h3-4,6-10,14H,1-2H3/t6-,7-,8+,9+,10+,12-/m0/s1
InChIKeyDVDHDDQJYLQXIH-JKYMVTTMSA-N
XLogP-0.57
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one with MolForge

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Related Compounds

Pyrenolide D
CID 10353119
ethyl (E)-4-[(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]but-2-enoate
CID 15306008
(2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one
CID 134859452
3-[(S)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-2H-furan-5-one
CID 135011326
(1S,2R,6R,8R,9S,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
CID 135011362
(1S,2R,6R,8R,9S,10S)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
CID 135011363
(1S,2R,6R,8R,9R,10S)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
CID 135011365
(3R,3aR,5R,6aR)-2,3,6-trihydroxyspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one
CID 135011714
3-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-2H-furan-5-one
CID 135012468
(3R,3aR,6aR)-2,3,6-trihydroxyspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one
CID 135038886
(3R,3aR,5S,6aR)-2,3,6-trihydroxyspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one
CID 135038891
methyl (E)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-enoate
CID 23252575

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one?
The IUPAC name of (1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one (CID 135011364) is (1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one.
What is the SMILES notation for (1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one?
The canonical SMILES for (1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one is CC1(C)O[C@H]2O[C@H]3[C@H](O[C@@]4(C=CC(=O)O4)[C@@H]3O)[C@H]2O1.
What is the InChIKey of (1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one?
The InChIKey is DVDHDDQJYLQXIH-JKYMVTTMSA-N. The full InChI is InChI=1S/C12H14O7/c1-11(2)17-8-6-7(15-10(8)19-11)9(14)12(18-6)4-3-5(13)16-12/h3-4,6-10,14H,1-2H3/t6-,7-,8+,9+,10+,12-/m0/s1.
What are the key properties of (1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one?
(1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one has a molecular weight of 270.24 g/mol, XLogP of -0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one is sourced from PubChem (CID 135011364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).