3-hydroxyspiro[4.5]deca-2,8-dien-4-one

C10H12O2 — CID 71381445

IUPAC3-hydroxyspiro[4.5]deca-2,8-dien-4-one
SMILESO=C1C(O)=CCC12CC=CCC2
InChIInChI=1S/C10H12O2/c11-8-4-7-10(9(8)12)5-2-1-3-6-10/h1-2,4,11H,3,5-7H2
InChIKeyJSYZRNFZUUKFMT-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.13
Rot. Bonds

About 3-hydroxyspiro[4.5]deca-2,8-dien-4-one

3-hydroxyspiro[4.5]deca-2,8-dien-4-one (PubChem CID 71381445) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-hydroxyspiro[4.5]deca-2,8-dien-4-one.

Molecular Properties

Compound Name3-hydroxyspiro[4.5]deca-2,8-dien-4-one
PubChem CID71381445
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-hydroxyspiro[4.5]deca-2,8-dien-4-one
SMILESO=C1C(O)=CCC12CC=CCC2
InChIInChI=1S/C10H12O2/c11-8-4-7-10(9(8)12)5-2-1-3-6-10/h1-2,4,11H,3,5-7H2
InChIKeyJSYZRNFZUUKFMT-UHFFFAOYSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyspiro[4.5]deca-2,8-dien-4-one?
The IUPAC name of 3-hydroxyspiro[4.5]deca-2,8-dien-4-one (CID 71381445) is 3-hydroxyspiro[4.5]deca-2,8-dien-4-one.
What is the SMILES notation for 3-hydroxyspiro[4.5]deca-2,8-dien-4-one?
The canonical SMILES for 3-hydroxyspiro[4.5]deca-2,8-dien-4-one is O=C1C(O)=CCC12CC=CCC2.
What is the InChIKey of 3-hydroxyspiro[4.5]deca-2,8-dien-4-one?
The InChIKey is JSYZRNFZUUKFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-8-4-7-10(9(8)12)5-2-1-3-6-10/h1-2,4,11H,3,5-7H2.
What are the key properties of 3-hydroxyspiro[4.5]deca-2,8-dien-4-one?
3-hydroxyspiro[4.5]deca-2,8-dien-4-one has a molecular weight of 164.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyspiro[4.5]deca-2,8-dien-4-one is sourced from PubChem (CID 71381445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).