10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one

C16H24O — CID 23451711

IUPAC10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one
SMILESCCC1=CC(=O)CC(C)C12CCC(=C(C)C)C2
InChIInChI=1S/C16H24O/c1-5-14-9-15(17)8-12(4)16(14)7-6-13(10-16)11(2)3/h9,12H,5-8,10H2,1-4H3
InChIKeyYYXRAWTYGSXUCS-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.44
Rot. Bonds1

About 10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one

10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one (PubChem CID 23451711) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one
PubChem CID23451711
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one
SMILESCCC1=CC(=O)CC(C)C12CCC(=C(C)C)C2
InChIInChI=1S/C16H24O/c1-5-14-9-15(17)8-12(4)16(14)7-6-13(10-16)11(2)3/h9,12H,5-8,10H2,1-4H3
InChIKeyYYXRAWTYGSXUCS-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-propan-2-ylidene-8-propan-2-yloxyspiro[4.5]dec-8-en-10-one
CID 23451695
(3R,5S,6R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 25200393
(5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one
CID 91715666
3,4-diethyl-4-hydroxycyclohex-2-en-1-one
CID 134895720
(3S,5R,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 42608177
7,9-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one
CID 23451690
3-ethyl-4-(1-hydroxy-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-4-methylcyclohex-2-en-1-one
CID 143782802
(3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
CID 162885101
(3S,5S,6S)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
CID 10823738
12-propan-2-ylidenetricyclo[7.4.1.01,6]tetradec-5-ene-4,14-dione
CID 117069658
(3R,5R)-3-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
CID 91884809
7-hydroxy-1-methylspiro[3.5]nonan-3-one
CID 163701413

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
The IUPAC name of 10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one (CID 23451711) is 10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
The canonical SMILES for 10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one is CCC1=CC(=O)CC(C)C12CCC(=C(C)C)C2.
What is the InChIKey of 10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
The InChIKey is YYXRAWTYGSXUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-5-14-9-15(17)8-12(4)16(14)7-6-13(10-16)11(2)3/h9,12H,5-8,10H2,1-4H3.
What are the key properties of 10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one has a molecular weight of 232.37 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 23451711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).