6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one

C20H26O3 — CID 90961654

IUPAC6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
SMILESC=C1C=CC(=O)C(C)(CC)C1.C=C1C=CC(=O)C2(CCCC2)O1
InChIInChI=1S/C10H12O2.C10H14O/c1-8-4-5-9(11)10(12-8)6-2-3-7-10;1-4-10(3)7-8(2)5-6-9(10)11/h4-5H,1-3,6-7H2;5-6H,2,4,7H2,1,3H3
InChIKeyZPKUICRYTIVUSR-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.46
Rot. Bonds1

About 6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one

6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one (PubChem CID 90961654) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
PubChem CID90961654
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
SMILESC=C1C=CC(=O)C(C)(CC)C1.C=C1C=CC(=O)C2(CCCC2)O1
InChIInChI=1S/C10H12O2.C10H14O/c1-8-4-5-9(11)10(12-8)6-2-3-7-10;1-4-10(3)7-8(2)5-6-9(10)11/h4-5H,1-3,6-7H2;5-6H,2,4,7H2,1,3H3
InChIKeyZPKUICRYTIVUSR-UHFFFAOYSA-N
XLogP4.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one with MolForge

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Launch Full Analysis

Related Compounds

Jatrophon
CID 5281373
Jatrophone
CID 6325446
(inverted exclamation markA)-CBCQ
CID 146657629
(1R,3R,6E,9E)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
CID 14733218
(1R,3R,6Z,9E)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraen-15-one
CID 71739451
(1R,3R,6Z,9E)-3,7,11,11,14-pentamethyl-8-methylidene-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraen-15-one
CID 71740942
3,7,11,11,14-Pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
CID 97596
(1R,3R)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
CID 281991
(1R,3R,9E)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
CID 134828043
Jatropha principle
CID 5880662
Normethyljatrophone
CID 5477666
(3R,6Z,9Z)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
CID 23351213

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
The IUPAC name of 6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one (CID 90961654) is 6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for 6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
The canonical SMILES for 6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one is C=C1C=CC(=O)C(C)(CC)C1.C=C1C=CC(=O)C2(CCCC2)O1.
What is the InChIKey of 6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
The InChIKey is ZPKUICRYTIVUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C10H14O/c1-8-4-5-9(11)10(12-8)6-2-3-7-10;1-4-10(3)7-8(2)5-6-9(10)11/h4-5H,1-3,6-7H2;5-6H,2,4,7H2,1,3H3.
What are the key properties of 6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one has a molecular weight of 314.43 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 90961654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).