tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one

C12H12O — CID 12789237

IUPACtricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
SMILESO=C1CC2CC(C1)c1ccccc12
InChIInChI=1S/C12H12O/c13-10-6-8-5-9(7-10)12-4-2-1-3-11(8)12/h1-4,8-9H,5-7H2
InChIKeyKEACXSSYYTXFJR-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.62
Rot. Bonds

About tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one

tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one (PubChem CID 12789237) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one.

Molecular Properties

Compound Nametricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
PubChem CID12789237
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Nametricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one
SMILESO=C1CC2CC(C1)c1ccccc12
InChIInChI=1S/C12H12O/c13-10-6-8-5-9(7-10)12-4-2-1-3-11(8)12/h1-4,8-9H,5-7H2
InChIKeyKEACXSSYYTXFJR-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
The IUPAC name of tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one (CID 12789237) is tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one.
What is the SMILES notation for tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
The canonical SMILES for tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one is O=C1CC2CC(C1)c1ccccc12.
What is the InChIKey of tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
The InChIKey is KEACXSSYYTXFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c13-10-6-8-5-9(7-10)12-4-2-1-3-11(8)12/h1-4,8-9H,5-7H2.
What are the key properties of tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one?
tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one has a molecular weight of 172.23 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one is sourced from PubChem (CID 12789237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).