methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one

C10H16O3 — CID 159881955

IUPACmethanol;4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESCO.O=C1OCC2C3CCC(C3)C12
InChIInChI=1S/C9H12O2.CH4O/c10-9-8-6-2-1-5(3-6)7(8)4-11-9;1-2/h5-8H,1-4H2;2H,1H3
InChIKeyNTQCXCUULWYMLO-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.81
Rot. Bonds

About methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one

methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 159881955) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Namemethanol;4-oxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID159881955
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethanol;4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESCO.O=C1OCC2C3CCC(C3)C12
InChIInChI=1S/C9H12O2.CH4O/c10-9-8-6-2-1-5(3-6)7(8)4-11-9;1-2/h5-8H,1-4H2;2H,1H3
InChIKeyNTQCXCUULWYMLO-UHFFFAOYSA-N
XLogP0.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one (CID 159881955) is methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one is CO.O=C1OCC2C3CCC(C3)C12.
What is the InChIKey of methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is NTQCXCUULWYMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.CH4O/c10-9-8-6-2-1-5(3-6)7(8)4-11-9;1-2/h5-8H,1-4H2;2H,1H3.
What are the key properties of methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one?
methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 184.23 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 159881955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).