2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one

C19H24O4 — CID 91295007

IUPAC2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
SMILESC=C1C=CC(=O)C(C)(CC)O1.C=C1C=CC(=O)C2(CCCC2)O1
InChIInChI=1S/C10H12O2.C9H12O2/c1-8-4-5-9(11)10(12-8)6-2-3-7-10;1-4-9(3)8(10)6-5-7(2)11-9/h4-5H,1-3,6-7H2;5-6H,2,4H2,1,3H3
InChIKeyFVJSISLJHULHBM-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.79
Rot. Bonds1

About 2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one

2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one (PubChem CID 91295007) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
PubChem CID91295007
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
SMILESC=C1C=CC(=O)C(C)(CC)O1.C=C1C=CC(=O)C2(CCCC2)O1
InChIInChI=1S/C10H12O2.C9H12O2/c1-8-4-5-9(11)10(12-8)6-2-3-7-10;1-4-9(3)8(10)6-5-7(2)11-9/h4-5H,1-3,6-7H2;5-6H,2,4H2,1,3H3
InChIKeyFVJSISLJHULHBM-UHFFFAOYSA-N
XLogP3.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one with MolForge

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Launch Full Analysis

Related Compounds

[3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxoisochromen-7-yl] cyclopentanecarboxylate
CID 16745662
Chrysodine
CID 6450305
(inverted exclamation markA)-CBCQ
CID 146657629
[(7S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate
CID 169491863
[3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxoisochromen-7-yl] propanoate
CID 16759496
[3-(3-Methoxyprop-1-enyl)-7-methyl-6,8-dioxoisochromen-7-yl] cyclopentanecarboxylate
CID 73319596
(3-Hepta-1,3,5-trienyl-7-methyl-6,8-dioxoisochromen-7-yl) acetate
CID 3085009
2-Methylidene-1-oxaspiro[5.5]undec-3-en-5-one
CID 20695159
7-Methylidene-6-oxaspiro[4.5]dec-8-en-10-one
CID 20695160
6-Ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
CID 90961654
2-Methyl-2-(4-methylpent-3-enyl)-7-propylchromene-5,8-dione
CID 146657624
2-Methyl-2-(5-methylhex-4-enyl)-7-pentylchromene-5,8-dione
CID 154934697

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
The IUPAC name of 2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one (CID 91295007) is 2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for 2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
The canonical SMILES for 2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one is C=C1C=CC(=O)C(C)(CC)O1.C=C1C=CC(=O)C2(CCCC2)O1.
What is the InChIKey of 2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
The InChIKey is FVJSISLJHULHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C9H12O2/c1-8-4-5-9(11)10(12-8)6-2-3-7-10;1-4-9(3)8(10)6-5-7(2)11-9/h4-5H,1-3,6-7H2;5-6H,2,4H2,1,3H3.
What are the key properties of 2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one has a molecular weight of 316.40 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 91295007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).