(1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one

C12H16O2 — CID 10954393

IUPAC(1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
SMILESCC1CCC2=CC(=O)[C@@]3(O)CC[C@]21C3
InChIInChI=1S/C12H16O2/c1-8-2-3-9-6-10(13)12(14)5-4-11(8,9)7-12/h6,8,14H,2-5,7H2,1H3/t8?,11-,12-/m1/s1
InChIKeyGFAQJWSJDWSOEA-OXRXOVLSSA-N
MW192.26 g/mol
LogP1.83
Rot. Bonds

About (1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one

(1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one (PubChem CID 10954393) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one.

Molecular Properties

Compound Name(1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
PubChem CID10954393
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
SMILESCC1CCC2=CC(=O)[C@@]3(O)CC[C@]21C3
InChIInChI=1S/C12H16O2/c1-8-2-3-9-6-10(13)12(14)5-4-11(8,9)7-12/h6,8,14H,2-5,7H2,1H3/t8?,11-,12-/m1/s1
InChIKeyGFAQJWSJDWSOEA-OXRXOVLSSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
The IUPAC name of (1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one (CID 10954393) is (1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one.
What is the SMILES notation for (1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
The canonical SMILES for (1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one is CC1CCC2=CC(=O)[C@@]3(O)CC[C@]21C3.
What is the InChIKey of (1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
The InChIKey is GFAQJWSJDWSOEA-OXRXOVLSSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-2-3-9-6-10(13)12(14)5-4-11(8,9)7-12/h6,8,14H,2-5,7H2,1H3/t8?,11-,12-/m1/s1.
What are the key properties of (1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one?
(1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one has a molecular weight of 192.26 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-8-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one is sourced from PubChem (CID 10954393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).