5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one

C13H20O2 — CID 155931278

IUPAC5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one
SMILESC=CC1(O)CCCC(=O)C12CCCCC2
InChIInChI=1S/C13H20O2/c1-2-13(15)10-6-7-11(14)12(13)8-4-3-5-9-12/h2,15H,1,3-10H2
InChIKeyDJTNVEQOVZPNBB-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.61
Rot. Bonds1

About 5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one

5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one (PubChem CID 155931278) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one
PubChem CID155931278
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one
SMILESC=CC1(O)CCCC(=O)C12CCCCC2
InChIInChI=1S/C13H20O2/c1-2-13(15)10-6-7-11(14)12(13)8-4-3-5-9-12/h2,15H,1,3-10H2
InChIKeyDJTNVEQOVZPNBB-UHFFFAOYSA-N
XLogP2.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.61
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

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CID 155931172
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CID 155931426
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CID 155931589
3-Ethenyl-3-hydroxy-2,2-dimethylcyclohexan-1-one
CID 155932976
3-Ethenyl-3-hydroxy-4-methylcyclohexan-1-one
CID 13023901
(1R,4aR,8aR)-8a-hydroxy-1,4a-dimethyl-3,4,5,6-tetrahydro-1H-naphthalen-2-one
CID 164781623
1-[(1R,2S)-2-ethenyl-2-hydroxycyclohexyl]heptan-3-one
CID 15858144
4-[(1R,2S)-2-ethenyl-2-hydroxycyclohexyl]butan-2-one
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6-Hydroxy-4-methyl-6-vinylbicyclo[2.2.2]octan-2-one
CID 117069932
(1R,4R,6R)-6-ethenyl-6-hydroxy-4-methylbicyclo[2.2.2]octan-2-one
CID 124536689
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CID 125035099

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one?
The IUPAC name of 5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one (CID 155931278) is 5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one.
What is the SMILES notation for 5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one?
The canonical SMILES for 5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one is C=CC1(O)CCCC(=O)C12CCCCC2.
What is the InChIKey of 5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one?
The InChIKey is DJTNVEQOVZPNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-13(15)10-6-7-11(14)12(13)8-4-3-5-9-12/h2,15H,1,3-10H2.
What are the key properties of 5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one?
5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5-hydroxyspiro[5.5]undecan-1-one is sourced from PubChem (CID 155931278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).