10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one

C13H14O2 — CID 53310024

IUPAC10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one
SMILESCOC1=CC=C2CCC3CC(=O)C(=C23)C1
InChIInChI=1S/C13H14O2/c1-15-10-5-4-8-2-3-9-6-12(14)11(7-10)13(8)9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyUAAVYAUDXJIIHG-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.53
Rot. Bonds1

About 10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one

10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one (PubChem CID 53310024) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one.

Molecular Properties

Compound Name10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one
PubChem CID53310024
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one
SMILESCOC1=CC=C2CCC3CC(=O)C(=C23)C1
InChIInChI=1S/C13H14O2/c1-15-10-5-4-8-2-3-9-6-12(14)11(7-10)13(8)9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyUAAVYAUDXJIIHG-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one?
The IUPAC name of 10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one (CID 53310024) is 10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one.
What is the SMILES notation for 10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one?
The canonical SMILES for 10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one is COC1=CC=C2CCC3CC(=O)C(=C23)C1.
What is the InChIKey of 10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one?
The InChIKey is UAAVYAUDXJIIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-15-10-5-4-8-2-3-9-6-12(14)11(7-10)13(8)9/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one?
10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one has a molecular weight of 202.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one is sourced from PubChem (CID 53310024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).