8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one

C16H18O10 — CID 75203654

IUPAC8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
SMILESO=C1OC2CC1(O)CC1OC(C3OC4CC5(O)CC(OC5=O)C4O3)OC21
InChIInChI=1S/C16H18O10/c17-13-15(19)1-5-9(7(3-15)23-13)25-11(21-5)12-22-6-2-16(20)4-8(10(6)26-12)24-14(16)18/h5-12,19-20H,1-4H2
InChIKeyPVQFJPDGXOQNAM-UHFFFAOYSA-N
MW370.31 g/mol
LogP-1.89
Rot. Bonds1

About 8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one

8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one (PubChem CID 75203654) has the molecular formula C16H18O10 and a molecular weight of 370.31 g/mol. Its IUPAC name is 8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one.

Molecular Properties

Compound Name8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
PubChem CID75203654
Molecular FormulaC16H18O10
Molecular Weight370.31 g/mol
Exact Mass370.09
IUPAC Name8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
SMILESO=C1OC2CC1(O)CC1OC(C3OC4CC5(O)CC(OC5=O)C4O3)OC21
InChIInChI=1S/C16H18O10/c17-13-15(19)1-5-9(7(3-15)23-13)25-11(21-5)12-22-6-2-16(20)4-8(10(6)26-12)24-14(16)18/h5-12,19-20H,1-4H2
InChIKeyPVQFJPDGXOQNAM-UHFFFAOYSA-N
XLogP-1.89
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one with MolForge

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Related Compounds

(1R,2S,6R,8R)-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,9-dione
CID 11264102
(1S,3R,4R,5R)-1,3,4-trihydroxy-6-oxabicyclo[3.2.1]octan-7-one
CID 10125106
(1S,2S,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclohexane]-9-one
CID 124857935
(1R,4S,5R)-1-hydroxy-4-iodo-6-oxabicyclo[3.2.1]octan-7-one
CID 102186759
(1R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
CID 10046713
[(1R,3R,4S,5R)-3-bromo-1-hydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl] benzoate
CID 70020507
(1R,2R,6R,8R)-4,4,8-trimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
CID 54567245
(1S,3S,4R,5R)-1-hydroxy-4-phenylmethoxy-3-prop-2-enyl-6-oxabicyclo[3.2.1]octan-7-one
CID 101209179
1,4-dihydroxy-3-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-enoxy]-6-oxabicyclo[3.2.1]octan-7-one
CID 123562286
[(1R,3R,4R,5R)-1,3-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 132820707
[(1S,3R,4R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1-hydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 132502624
[(1R,3R,4R,5R)-1,4-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 102210472

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
The IUPAC name of 8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one (CID 75203654) is 8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one.
What is the SMILES notation for 8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
The canonical SMILES for 8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one is O=C1OC2CC1(O)CC1OC(C3OC4CC5(O)CC(OC5=O)C4O3)OC21.
What is the InChIKey of 8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
The InChIKey is PVQFJPDGXOQNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O10/c17-13-15(19)1-5-9(7(3-15)23-13)25-11(21-5)12-22-6-2-16(20)4-8(10(6)26-12)24-14(16)18/h5-12,19-20H,1-4H2.
What are the key properties of 8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one has a molecular weight of 370.31 g/mol, XLogP of -1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4-(8-hydroxy-9-oxo-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-4-yl)-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one is sourced from PubChem (CID 75203654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).