6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one

C10H14O6 — CID 163189855

IUPAC6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one
SMILESCC1=CC(=O)OC12OC(CO)C(O)CC2O
InChIInChI=1S/C10H14O6/c1-5-2-9(14)16-10(5)8(13)3-6(12)7(4-11)15-10/h2,6-8,11-13H,3-4H2,1H3
InChIKeyQBNWAIJUJSAYCU-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.31
Rot. Bonds1

About 6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one

6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one (PubChem CID 163189855) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one
PubChem CID163189855
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one
SMILESCC1=CC(=O)OC12OC(CO)C(O)CC2O
InChIInChI=1S/C10H14O6/c1-5-2-9(14)16-10(5)8(13)3-6(12)7(4-11)15-10/h2,6-8,11-13H,3-4H2,1H3
InChIKeyQBNWAIJUJSAYCU-UHFFFAOYSA-N
XLogP-1.31
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one
CID 10933277
6,7-Dihydrophomopsolide B
CID 11460721
Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate
CID 131751671
3-[[(2S,3R,4R)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]methyl]-2H-furan-5-one
CID 44288048
[(2R,3S,6S)-3-hydroxy-4-[(1R)-1-hydroxydecyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 44425061
ethyl (E,4R)-4-[(2S,3R,4R)-3,4-dihydroxyoxan-2-yl]-4-hydroxy-3-methylbut-2-enoate
CID 44563935
(E)-Methyl 4-(beta-D-galactopyranosyl)-but-2-enoate
CID 44586862
LL P880 beta
CID 3016254
Dihydrophomopsolide B
CID 10108705
Gabosine K
CID 10443358
(2S)-2-[(1R)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2H-furan-5-one
CID 10541490
(2R)-2-[(1R)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2H-furan-5-one
CID 10827337

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one (CID 163189855) is 6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one is CC1=CC(=O)OC12OC(CO)C(O)CC2O.
What is the InChIKey of 6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one?
The InChIKey is QBNWAIJUJSAYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-5-2-9(14)16-10(5)8(13)3-6(12)7(4-11)15-10/h2,6-8,11-13H,3-4H2,1H3.
What are the key properties of 6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one?
6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one has a molecular weight of 230.22 g/mol, XLogP of -1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-9-(hydroxymethyl)-4-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 163189855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).