7-hydroxybicyclo[2.2.2]oct-5-en-2-one

C8H10O2 — CID 565348

IUPAC7-hydroxybicyclo[2.2.2]oct-5-en-2-one
SMILESO=C1CC2C=CC1C(O)C2
InChIInChI=1S/C8H10O2/c9-7-3-5-1-2-6(7)8(10)4-5/h1-2,5-7,9H,3-4H2
InChIKeyUYUJAQKQNKZGSH-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.51
Rot. Bonds

About 7-hydroxybicyclo[2.2.2]oct-5-en-2-one

7-hydroxybicyclo[2.2.2]oct-5-en-2-one (PubChem CID 565348) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 7-hydroxybicyclo[2.2.2]oct-5-en-2-one.

Molecular Properties

Compound Name7-hydroxybicyclo[2.2.2]oct-5-en-2-one
PubChem CID565348
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name7-hydroxybicyclo[2.2.2]oct-5-en-2-one
SMILESO=C1CC2C=CC1C(O)C2
InChIInChI=1S/C8H10O2/c9-7-3-5-1-2-6(7)8(10)4-5/h1-2,5-7,9H,3-4H2
InChIKeyUYUJAQKQNKZGSH-UHFFFAOYSA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-Ethoxybicyclo[2.2.2]oct-5-ene-2,3-dione
CID 135081131
(1S,4S,8S)-8-hydroxybicyclo[2.2.2]oct-5-en-2-one
CID 11679828
(1S,4S,6S)-6-hydroxy-1-(4-methylpent-3-enyl)bicyclo[2.2.2]octan-2-one
CID 134948423
7-Butoxybicyclo[2.2.2]oct-5-en-2-one
CID 134975152
Xajiaclenlvbrz-aczmjkkpsa-
CID 11542795
7-Hydroxy-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-one
CID 14356277
(1R,4R,8R)-8-hydroxybicyclo[2.2.2]oct-5-en-2-one
CID 131160815
Cyclohex-2-en-1-yl-(2-hydroxycyclohexyl)methanone
CID 130205000
8-hydroxy-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one
CID 163772475
(1S,4S,7R)-7-ethoxybicyclo[2.2.2]oct-5-ene-2,3-dione
CID 100928835
(1R,4R,7R)-7-ethoxybicyclo[2.2.2]oct-5-ene-2,3-dione
CID 100929148
(1R,4R,7S)-7-ethoxybicyclo[2.2.2]oct-5-ene-2,3-dione
CID 100929149

Frequently Asked Questions

What is the IUPAC name of 7-hydroxybicyclo[2.2.2]oct-5-en-2-one?
The IUPAC name of 7-hydroxybicyclo[2.2.2]oct-5-en-2-one (CID 565348) is 7-hydroxybicyclo[2.2.2]oct-5-en-2-one.
What is the SMILES notation for 7-hydroxybicyclo[2.2.2]oct-5-en-2-one?
The canonical SMILES for 7-hydroxybicyclo[2.2.2]oct-5-en-2-one is O=C1CC2C=CC1C(O)C2.
What is the InChIKey of 7-hydroxybicyclo[2.2.2]oct-5-en-2-one?
The InChIKey is UYUJAQKQNKZGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-7-3-5-1-2-6(7)8(10)4-5/h1-2,5-7,9H,3-4H2.
What are the key properties of 7-hydroxybicyclo[2.2.2]oct-5-en-2-one?
7-hydroxybicyclo[2.2.2]oct-5-en-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxybicyclo[2.2.2]oct-5-en-2-one is sourced from PubChem (CID 565348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).