8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one

C10H14O5 — CID 85151157

IUPAC8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one
SMILESCC12CC(=O)C3CC1(O)OC(O2)C3CO
InChIInChI=1S/C10H14O5/c1-9-3-7(12)5-2-10(9,13)15-8(14-9)6(5)4-11/h5-6,8,11,13H,2-4H2,1H3
InChIKeyKNVSYDKAXGHRJZ-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.59
Rot. Bonds1

About 8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one

8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one (PubChem CID 85151157) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one.

Molecular Properties

Compound Name8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one
PubChem CID85151157
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one
SMILESCC12CC(=O)C3CC1(O)OC(O2)C3CO
InChIInChI=1S/C10H14O5/c1-9-3-7(12)5-2-10(9,13)15-8(14-9)6(5)4-11/h5-6,8,11,13H,2-4H2,1H3
InChIKeyKNVSYDKAXGHRJZ-UHFFFAOYSA-N
XLogP-0.59
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one?
The IUPAC name of 8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one (CID 85151157) is 8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one.
What is the SMILES notation for 8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one?
The canonical SMILES for 8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one is CC12CC(=O)C3CC1(O)OC(O2)C3CO.
What is the InChIKey of 8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one?
The InChIKey is KNVSYDKAXGHRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-9-3-7(12)5-2-10(9,13)15-8(14-9)6(5)4-11/h5-6,8,11,13H,2-4H2,1H3.
What are the key properties of 8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one?
8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one has a molecular weight of 214.22 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one is sourced from PubChem (CID 85151157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).