5-methoxytricyclo[3.3.0.02,8]octan-3-one

C9H12O2 — CID 86120642

IUPAC5-methoxytricyclo[3.3.0.02,8]octan-3-one
SMILESCOC12CCC3C(C(=O)C1)C32
InChIInChI=1S/C9H12O2/c1-11-9-3-2-5-7(8(5)9)6(10)4-9/h5,7-8H,2-4H2,1H3
InChIKeyCOICMHWEZOQSRV-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.00
Rot. Bonds1

About 5-methoxytricyclo[3.3.0.02,8]octan-3-one

5-methoxytricyclo[3.3.0.02,8]octan-3-one (PubChem CID 86120642) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5-methoxytricyclo[3.3.0.02,8]octan-3-one.

Molecular Properties

Compound Name5-methoxytricyclo[3.3.0.02,8]octan-3-one
PubChem CID86120642
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5-methoxytricyclo[3.3.0.02,8]octan-3-one
SMILESCOC12CCC3C(C(=O)C1)C32
InChIInChI=1S/C9H12O2/c1-11-9-3-2-5-7(8(5)9)6(10)4-9/h5,7-8H,2-4H2,1H3
InChIKeyCOICMHWEZOQSRV-UHFFFAOYSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxytricyclo[3.3.0.02,8]octan-3-one?
The IUPAC name of 5-methoxytricyclo[3.3.0.02,8]octan-3-one (CID 86120642) is 5-methoxytricyclo[3.3.0.02,8]octan-3-one.
What is the SMILES notation for 5-methoxytricyclo[3.3.0.02,8]octan-3-one?
The canonical SMILES for 5-methoxytricyclo[3.3.0.02,8]octan-3-one is COC12CCC3C(C(=O)C1)C32.
What is the InChIKey of 5-methoxytricyclo[3.3.0.02,8]octan-3-one?
The InChIKey is COICMHWEZOQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-9-3-2-5-7(8(5)9)6(10)4-9/h5,7-8H,2-4H2,1H3.
What are the key properties of 5-methoxytricyclo[3.3.0.02,8]octan-3-one?
5-methoxytricyclo[3.3.0.02,8]octan-3-one has a molecular weight of 152.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxytricyclo[3.3.0.02,8]octan-3-one is sourced from PubChem (CID 86120642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).