4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one

C13H16O2 — CID 10442903

IUPAC4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one
SMILESC#CCC1(O)CCCC12C=CC(=O)CC2
InChIInChI=1S/C13H16O2/c1-2-6-13(15)8-3-7-12(13)9-4-11(14)5-10-12/h1,4,9,15H,3,5-8,10H2
InChIKeyPAOLRFBRZOYBGP-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.83
Rot. Bonds1

About 4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one

4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one (PubChem CID 10442903) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one
PubChem CID10442903
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one
SMILESC#CCC1(O)CCCC12C=CC(=O)CC2
InChIInChI=1S/C13H16O2/c1-2-6-13(15)8-3-7-12(13)9-4-11(14)5-10-12/h1,4,9,15H,3,5-8,10H2
InChIKeyPAOLRFBRZOYBGP-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one?
The IUPAC name of 4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one (CID 10442903) is 4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one?
The canonical SMILES for 4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one is C#CCC1(O)CCCC12C=CC(=O)CC2.
What is the InChIKey of 4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one?
The InChIKey is PAOLRFBRZOYBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-6-13(15)8-3-7-12(13)9-4-11(14)5-10-12/h1,4,9,15H,3,5-8,10H2.
What are the key properties of 4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one?
4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one has a molecular weight of 204.27 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 10442903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).