6-hydroxyspiro[2.4]hept-6-en-5-one

C7H8O2 — CID 178156298

IUPAC6-hydroxyspiro[2.4]hept-6-en-5-one
SMILESO=C1CC2(C=C1O)CC2
InChIInChI=1S/C7H8O2/c8-5-3-7(1-2-7)4-6(5)9/h3,8H,1-2,4H2
InChIKeyMWSIQUKVIFYWHI-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.18
Rot. Bonds

About 6-hydroxyspiro[2.4]hept-6-en-5-one

6-hydroxyspiro[2.4]hept-6-en-5-one (PubChem CID 178156298) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 6-hydroxyspiro[2.4]hept-6-en-5-one.

Molecular Properties

Compound Name6-hydroxyspiro[2.4]hept-6-en-5-one
PubChem CID178156298
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name6-hydroxyspiro[2.4]hept-6-en-5-one
SMILESO=C1CC2(C=C1O)CC2
InChIInChI=1S/C7H8O2/c8-5-3-7(1-2-7)4-6(5)9/h3,8H,1-2,4H2
InChIKeyMWSIQUKVIFYWHI-UHFFFAOYSA-N
XLogP1.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-3-hydroxy-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-2-en-1-ylidene)-5,5-dimethylcyclohex-3-en-1-one
CID 138961452
4-methoxyspiro[5.5]undec-4-en-2-one
CID 130848309
4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one
CID 163066238
2-iodo-4,4-dimethylcyclopent-2-en-1-one
CID 22002644
4,9-dihydroxyspiro[cyclopenta[b]naphthalene-2,1'-cyclopentane]-1,3-dione
CID 14314340
1-hydroxy-1-azaspiro[3.5]nonane-2,7-dione
CID 141129975
9,10-dihydroxy-4,4,6,7-tetramethyl-2,3-dihydroanthracen-1-one
CID 101386040
2,3-dihydroxy-5,5-dimethoxycyclohex-2-en-1-one
CID 22263464
2-hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione;methane
CID 143210953
11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione
CID 136798584
5,6-dihydroxy-3,3,4,7-tetramethyl-2H-inden-1-one
CID 91518429
(4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one
CID 130643878

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyspiro[2.4]hept-6-en-5-one?
The IUPAC name of 6-hydroxyspiro[2.4]hept-6-en-5-one (CID 178156298) is 6-hydroxyspiro[2.4]hept-6-en-5-one.
What is the SMILES notation for 6-hydroxyspiro[2.4]hept-6-en-5-one?
The canonical SMILES for 6-hydroxyspiro[2.4]hept-6-en-5-one is O=C1CC2(C=C1O)CC2.
What is the InChIKey of 6-hydroxyspiro[2.4]hept-6-en-5-one?
The InChIKey is MWSIQUKVIFYWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-5-3-7(1-2-7)4-6(5)9/h3,8H,1-2,4H2.
What are the key properties of 6-hydroxyspiro[2.4]hept-6-en-5-one?
6-hydroxyspiro[2.4]hept-6-en-5-one has a molecular weight of 124.14 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyspiro[2.4]hept-6-en-5-one is sourced from PubChem (CID 178156298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).