2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one

C14H20O2 — CID 101420342

IUPAC2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one
SMILESO=C1C=C(C2CCCCC2)OC12CCCC2
InChIInChI=1S/C14H20O2/c15-13-10-12(11-6-2-1-3-7-11)16-14(13)8-4-5-9-14/h10-11H,1-9H2
InChIKeyYIHJZHCTSWKXQY-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.36
Rot. Bonds1

About 2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one

2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one (PubChem CID 101420342) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one.

Molecular Properties

Compound Name2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one
PubChem CID101420342
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one
SMILESO=C1C=C(C2CCCCC2)OC12CCCC2
InChIInChI=1S/C14H20O2/c15-13-10-12(11-6-2-1-3-7-11)16-14(13)8-4-5-9-14/h10-11H,1-9H2
InChIKeyYIHJZHCTSWKXQY-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.36
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
2,5-Dimethyl-2-pent-4-enylfuran-3-one
CID 85974375
2-Cyclohexyl-5-methylfuran-3-one
CID 4447644
2-Ethyl-5-hexyl-2-methylfuran-3-one
CID 12192333
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-(Cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one
CID 101420341
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-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one?
The IUPAC name of 2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one (CID 101420342) is 2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one.
What is the SMILES notation for 2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one?
The canonical SMILES for 2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one is O=C1C=C(C2CCCCC2)OC12CCCC2.
What is the InChIKey of 2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one?
The InChIKey is YIHJZHCTSWKXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-13-10-12(11-6-2-1-3-7-11)16-14(13)8-4-5-9-14/h10-11H,1-9H2.
What are the key properties of 2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one?
2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one has a molecular weight of 220.31 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one is sourced from PubChem (CID 101420342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).