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

C14H18O2 — CID 101420343

IUPAC2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one
SMILESO=C1C=C(C2=CCCCC2)OC12CCCC2
InChIInChI=1S/C14H18O2/c15-13-10-12(11-6-2-1-3-7-11)16-14(13)8-4-5-9-14/h6,10H,1-5,7-9H2
InChIKeyKXSTZHGZTRQUIQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.28
Rot. Bonds1

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

2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one (PubChem CID 101420343) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one
PubChem CID101420343
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one
SMILESO=C1C=C(C2=CCCCC2)OC12CCCC2
InChIInChI=1S/C14H18O2/c15-13-10-12(11-6-2-1-3-7-11)16-14(13)8-4-5-9-14/h6,10H,1-5,7-9H2
InChIKeyKXSTZHGZTRQUIQ-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R,6Z,10S)-3,7,10,11,11,14-hexamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,13-triene-8,15-dione
CID 71740946
2-Cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one
CID 101420342
7-Methylidene-6-oxaspiro[4.5]dec-8-en-10-one
CID 20695160
2,3,4,6-Tetramethyl-2-(4-methylpent-3-enyl)-7-pentylchromene-5,8-dione
CID 176639770
9,12-Dimethoxybicyclo[7.3.1]trideca-1(13),11-dien-10-one
CID 15031561
10,13-Dimethoxybicyclo[8.3.1]tetradeca-1(14),12-dien-11-one
CID 15031562
11,14-Dimethoxybicyclo[9.3.1]pentadeca-1(15),13-dien-12-one
CID 15031563
12,15-Dimethoxybicyclo[10.3.1]hexadeca-1(16),14-dien-13-one
CID 15031564
2-Prop-1-en-2-yl-1-oxaspiro[4.4]non-2-en-4-one
CID 16120589
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-ethyl-5-[(1E,3E)-hexa-1,3-dienyl]-4-methyl-2-pentylfuran-3-one
CID 102340399

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one?
The IUPAC name of 2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one (CID 101420343) is 2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one is O=C1C=C(C2=CCCCC2)OC12CCCC2.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one?
The InChIKey is KXSTZHGZTRQUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-13-10-12(11-6-2-1-3-7-11)16-14(13)8-4-5-9-14/h6,10H,1-5,7-9H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one?
2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one has a molecular weight of 218.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one is sourced from PubChem (CID 101420343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).