(1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one

C10H14O2 — CID 10419540

IUPAC(1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one
SMILESO=C1C[C@H]2CCC3CCC[C@@]32O1
InChIInChI=1S/C10H14O2/c11-9-6-8-4-3-7-2-1-5-10(7,8)12-9/h7-8H,1-6H2/t7?,8-,10-/m1/s1
InChIKeyAVFUEVMPLVIILZ-JDOFKEMOSA-N
MW166.22 g/mol
LogP1.88
Rot. Bonds

About (1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one

(1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one (PubChem CID 10419540) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one.

Molecular Properties

Compound Name(1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one
PubChem CID10419540
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one
SMILESO=C1C[C@H]2CCC3CCC[C@@]32O1
InChIInChI=1S/C10H14O2/c11-9-6-8-4-3-7-2-1-5-10(7,8)12-9/h7-8H,1-6H2/t7?,8-,10-/m1/s1
InChIKeyAVFUEVMPLVIILZ-JDOFKEMOSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one?
The IUPAC name of (1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one (CID 10419540) is (1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one.
What is the SMILES notation for (1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one?
The canonical SMILES for (1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one is O=C1C[C@H]2CCC3CCC[C@@]32O1.
What is the InChIKey of (1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one?
The InChIKey is AVFUEVMPLVIILZ-JDOFKEMOSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-6-8-4-3-7-2-1-5-10(7,8)12-9/h7-8H,1-6H2/t7?,8-,10-/m1/s1.
What are the key properties of (1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one?
(1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one is sourced from PubChem (CID 10419540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).