2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one

C10H14O3 — CID 12754092

IUPAC2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one
SMILESO=C1OC2CC3CC1CC(C3)C2O
InChIInChI=1S/C10H14O3/c11-9-6-1-5-2-7(4-6)10(12)13-8(9)3-5/h5-9,11H,1-4H2
InChIKeyDVBXJJBQWMKSMD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.71
Rot. Bonds

About 2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one

2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one (PubChem CID 12754092) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one
PubChem CID12754092
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one
SMILESO=C1OC2CC3CC1CC(C3)C2O
InChIInChI=1S/C10H14O3/c11-9-6-1-5-2-7(4-6)10(12)13-8(9)3-5/h5-9,11H,1-4H2
InChIKeyDVBXJJBQWMKSMD-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one?
The IUPAC name of 2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one (CID 12754092) is 2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one.
What is the SMILES notation for 2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one?
The canonical SMILES for 2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one is O=C1OC2CC3CC1CC(C3)C2O.
What is the InChIKey of 2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one?
The InChIKey is DVBXJJBQWMKSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-6-1-5-2-7(4-6)10(12)13-8(9)3-5/h5-9,11H,1-4H2.
What are the key properties of 2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one?
2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one has a molecular weight of 182.22 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one is sourced from PubChem (CID 12754092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).