2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one

C15H22O2 — CID 101420341

IUPAC2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one
SMILESO=C1C=C(CC2CCCCC2)OC12CCCC2
InChIInChI=1S/C15H22O2/c16-14-11-13(10-12-6-2-1-3-7-12)17-15(14)8-4-5-9-15/h11-12H,1-10H2
InChIKeyJDUSUASWSQYRKC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.75
Rot. Bonds2

About 2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one

2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one (PubChem CID 101420341) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one
PubChem CID101420341
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one
SMILESO=C1C=C(CC2CCCCC2)OC12CCCC2
InChIInChI=1S/C15H22O2/c16-14-11-13(10-12-6-2-1-3-7-12)17-15(14)8-4-5-9-15/h11-12H,1-10H2
InChIKeyJDUSUASWSQYRKC-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1-oxaspiro[4.5]dec-2-en-4-one
CID 12671964
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one
CID 85991140
2-Cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one
CID 101420342
2-Cyclohexyl-5-methylfuran-3-one
CID 4447644
2-Butyl-2,5-dimethylfuran-3-one
CID 12416267
2-Hexyl-2,5-dimethylfuran-3-one
CID 12416268
2-Methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione
CID 24977518
(2S)-2-cyclohexyl-5-methylfuran-3-one
CID 92141139
(2R)-2-cyclohexyl-5-methylfuran-3-one
CID 98111184
2-Pentyl-1-oxaspiro[4.4]non-2-en-4-one
CID 101420339
2-[3-(Oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one
CID 101420340
2-(Cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one
CID 101420343

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one?
The IUPAC name of 2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one (CID 101420341) is 2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one?
The canonical SMILES for 2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one is O=C1C=C(CC2CCCCC2)OC12CCCC2.
What is the InChIKey of 2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one?
The InChIKey is JDUSUASWSQYRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c16-14-11-13(10-12-6-2-1-3-7-12)17-15(14)8-4-5-9-15/h11-12H,1-10H2.
What are the key properties of 2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one?
2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one has a molecular weight of 234.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one is sourced from PubChem (CID 101420341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).