10-ethenyl-10-hydroxyspiro[4.5]decan-6-one

C12H18O2 — CID 155931172

IUPAC10-ethenyl-10-hydroxyspiro[4.5]decan-6-one
SMILESC=CC1(O)CCCC(=O)C12CCCC2
InChIInChI=1S/C12H18O2/c1-2-12(14)9-5-6-10(13)11(12)7-3-4-8-11/h2,14H,1,3-9H2
InChIKeyJIKYPBLKRDNBGE-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.22
Rot. Bonds1

About 10-ethenyl-10-hydroxyspiro[4.5]decan-6-one

10-ethenyl-10-hydroxyspiro[4.5]decan-6-one (PubChem CID 155931172) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 10-ethenyl-10-hydroxyspiro[4.5]decan-6-one.

Molecular Properties

Compound Name10-ethenyl-10-hydroxyspiro[4.5]decan-6-one
PubChem CID155931172
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name10-ethenyl-10-hydroxyspiro[4.5]decan-6-one
SMILESC=CC1(O)CCCC(=O)C12CCCC2
InChIInChI=1S/C12H18O2/c1-2-12(14)9-5-6-10(13)11(12)7-3-4-8-11/h2,14H,1,3-9H2
InChIKeyJIKYPBLKRDNBGE-UHFFFAOYSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.22
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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(2R)-2-hydroxy-2-methylcyclopentan-1-one
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CID 130030751
2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid
CID 90921399
2-fluoro-2-prop-2-enylcyclododecan-1-one
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2,3,3-trihydroxy-2-methylcyclohexan-1-one
CID 67931536
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CID 169087967

Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-10-hydroxyspiro[4.5]decan-6-one?
The IUPAC name of 10-ethenyl-10-hydroxyspiro[4.5]decan-6-one (CID 155931172) is 10-ethenyl-10-hydroxyspiro[4.5]decan-6-one.
What is the SMILES notation for 10-ethenyl-10-hydroxyspiro[4.5]decan-6-one?
The canonical SMILES for 10-ethenyl-10-hydroxyspiro[4.5]decan-6-one is C=CC1(O)CCCC(=O)C12CCCC2.
What is the InChIKey of 10-ethenyl-10-hydroxyspiro[4.5]decan-6-one?
The InChIKey is JIKYPBLKRDNBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-12(14)9-5-6-10(13)11(12)7-3-4-8-11/h2,14H,1,3-9H2.
What are the key properties of 10-ethenyl-10-hydroxyspiro[4.5]decan-6-one?
10-ethenyl-10-hydroxyspiro[4.5]decan-6-one has a molecular weight of 194.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-10-hydroxyspiro[4.5]decan-6-one is sourced from PubChem (CID 155931172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).