8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one

C10H16O5 — CID 71345552

IUPAC8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one
SMILESCC(O)CC1OC(=O)CC2CC(O)C1O2
InChIInChI=1S/C10H16O5/c1-5(11)2-8-10-7(12)3-6(14-10)4-9(13)15-8/h5-8,10-12H,2-4H2,1H3
InChIKeyACOYLHVUGSEGKA-UHFFFAOYSA-N
MW216.23 g/mol
LogP-0.41
Rot. Bonds2

About 8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one

8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one (PubChem CID 71345552) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one
PubChem CID71345552
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one
SMILESCC(O)CC1OC(=O)CC2CC(O)C1O2
InChIInChI=1S/C10H16O5/c1-5(11)2-8-10-7(12)3-6(14-10)4-9(13)15-8/h5-8,10-12H,2-4H2,1H3
InChIKeyACOYLHVUGSEGKA-UHFFFAOYSA-N
XLogP-0.41
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dihydroxypropyl 5-hydroxydodecanoate
CID 175553
2,3-Dihydroxypropyl 5-hydroxydecanoate
CID 5463954
Sorbitan monocaprylate
CID 90474014
(2S,3R,3aS,6aS)-2-(decoxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 44580177
Sorbitan, nonanoate
CID 73556984
(2S,3R,3aS,6aS)-3-hydroxy-2-(nonoxymethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 44580326
6-O-Palmitoyl-L-ascorbate
CID 44588046
[(1S)-1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl] acetate
CID 132489970
Polyporolide
CID 122368814
[3-Hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate
CID 23843944
(4S,6S)-6-[(1S,2R)-1,2-Dihydroxybutyl]-4-hydroxy-4-methoxytetrahydro-2H-pyran-2-one
CID 132525535
[(1S)-1-[(2S,3R,3aS,6aS)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl] acetate
CID 145960625

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one?
The IUPAC name of 8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one (CID 71345552) is 8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for 8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for 8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one is CC(O)CC1OC(=O)CC2CC(O)C1O2.
What is the InChIKey of 8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one?
The InChIKey is ACOYLHVUGSEGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-5(11)2-8-10-7(12)3-6(14-10)4-9(13)15-8/h5-8,10-12H,2-4H2,1H3.
What are the key properties of 8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one?
8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one has a molecular weight of 216.23 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 71345552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).