8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one

C10H14O5 — CID 5062220

IUPAC8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
SMILESCC1(C)OC2CC3(O)CC(OC3=O)C2O1
InChIInChI=1S/C10H14O5/c1-9(2)14-6-4-10(12)3-5(7(6)15-9)13-8(10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyYRUDAAXXYUYEQL-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.04
Rot. Bonds

About 8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one

8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one (PubChem CID 5062220) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one.

Molecular Properties

Compound Name8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
PubChem CID5062220
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
SMILESCC1(C)OC2CC3(O)CC(OC3=O)C2O1
InChIInChI=1S/C10H14O5/c1-9(2)14-6-4-10(12)3-5(7(6)15-9)13-8(10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyYRUDAAXXYUYEQL-UHFFFAOYSA-N
XLogP-0.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
The IUPAC name of 8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one (CID 5062220) is 8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one.
What is the SMILES notation for 8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
The canonical SMILES for 8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one is CC1(C)OC2CC3(O)CC(OC3=O)C2O1.
What is the InChIKey of 8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
The InChIKey is YRUDAAXXYUYEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-9(2)14-6-4-10(12)3-5(7(6)15-9)13-8(10)11/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one?
8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one has a molecular weight of 214.22 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one is sourced from PubChem (CID 5062220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).