7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one

C8H10O3 — CID 135082931

IUPAC7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one
SMILESO=C1CCCC2=C1CC2(O)O
InChIInChI=1S/C8H10O3/c9-7-3-1-2-6-5(7)4-8(6,10)11/h10-11H,1-4H2
InChIKeyPAZIOKMDENMEIX-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.12
Rot. Bonds

About 7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one

7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one (PubChem CID 135082931) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one.

Molecular Properties

Compound Name7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one
PubChem CID135082931
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one
SMILESO=C1CCCC2=C1CC2(O)O
InChIInChI=1S/C8H10O3/c9-7-3-1-2-6-5(7)4-8(6,10)11/h10-11H,1-4H2
InChIKeyPAZIOKMDENMEIX-UHFFFAOYSA-N
XLogP0.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one?
The IUPAC name of 7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one (CID 135082931) is 7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one.
What is the SMILES notation for 7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one?
The canonical SMILES for 7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one is O=C1CCCC2=C1CC2(O)O.
What is the InChIKey of 7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one?
The InChIKey is PAZIOKMDENMEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-3-1-2-6-5(7)4-8(6,10)11/h10-11H,1-4H2.
What are the key properties of 7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one?
7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one has a molecular weight of 154.16 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dihydroxybicyclo[4.2.0]oct-1(6)-en-2-one is sourced from PubChem (CID 135082931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).