(1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one

C12H16O2 — CID 11137980

IUPAC(1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one
SMILESCO[C@@]12CC[C@]3(CCCC3=CC1=O)C2
InChIInChI=1S/C12H16O2/c1-14-12-6-5-11(8-12)4-2-3-9(11)7-10(12)13/h7H,2-6,8H2,1H3/t11-,12-/m1/s1
InChIKeyFYYPVMPZYMBTAY-VXGBXAGGSA-N
MW192.26 g/mol
LogP2.23
Rot. Bonds1

About (1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one

(1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one (PubChem CID 11137980) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one.

Molecular Properties

Compound Name(1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one
PubChem CID11137980
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one
SMILESCO[C@@]12CC[C@]3(CCCC3=CC1=O)C2
InChIInChI=1S/C12H16O2/c1-14-12-6-5-11(8-12)4-2-3-9(11)7-10(12)13/h7H,2-6,8H2,1H3/t11-,12-/m1/s1
InChIKeyFYYPVMPZYMBTAY-VXGBXAGGSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Hydroxytricyclo[6.2.1.01,5]undec-5-en-7-one
CID 85299310
(1R,8R)-8-hydroxytricyclo[6.2.1.01,5]undec-5-en-7-one
CID 10877700
(1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
CID 10954393
(1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
CID 10954729
(1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one
CID 10998193
Cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
Cyclohexen-1-yl-(1-methoxycyclopentyl)methanone
CID 106652203
1-Methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one
CID 130030589

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one?
The IUPAC name of (1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one (CID 11137980) is (1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one.
What is the SMILES notation for (1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one?
The canonical SMILES for (1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one is CO[C@@]12CC[C@]3(CCCC3=CC1=O)C2.
What is the InChIKey of (1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one?
The InChIKey is FYYPVMPZYMBTAY-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16O2/c1-14-12-6-5-11(8-12)4-2-3-9(11)7-10(12)13/h7H,2-6,8H2,1H3/t11-,12-/m1/s1.
What are the key properties of (1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one?
(1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one has a molecular weight of 192.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one is sourced from PubChem (CID 11137980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).