3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one

C8H10O3 — CID 13197629

IUPAC3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESCC1COC2(C=CC(=O)C2)O1
InChIInChI=1S/C8H10O3/c1-6-5-10-8(11-6)3-2-7(9)4-8/h2-3,6H,4-5H2,1H3
InChIKeyGJGVIASEJPJDJZ-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds

About 3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one

3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 13197629) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one
PubChem CID13197629
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESCC1COC2(C=CC(=O)C2)O1
InChIInChI=1S/C8H10O3/c1-6-5-10-8(11-6)3-2-7(9)4-8/h2-3,6H,4-5H2,1H3
InChIKeyGJGVIASEJPJDJZ-UHFFFAOYSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta(d)(1,3)dioxol-4-one
CID 10997245
(3aS,6aS)-3a,6a-dihydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one
CID 10154155
(3aR,7aS)-2,2-Dimethyl-3a,4-dihydrobenzo[d][1,3]dioxol-5(7aH)-one
CID 12403840
(3aR,7aS)-2,2-Dimethyl-3a,4-dihydrobenzo[d][1,3]dioxol-5(7aH)-one
CID 12403840
1,3-Benzodioxol-5(4H)-one, 3a,7a-dihydro-2,2-dimethyl-, cis-
CID 10329700
1,3-Benzodioxol-5(4H)-one, 3a,7a-dihydro-2,2-dimethyl-, cis-
CID 10329700
2,2-dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one
CID 13700992
(1S,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 11126662
7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 85408430
(3aR,6aR)-5-iodo-2,2-dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one
CID 15236394
3-Methyl-7-oxo-1,4-dioxaspiro[4.4]non-8-ene-3-carbaldehyde
CID 20506994
(4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one
CID 56978385

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of 3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one (CID 13197629) is 3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for 3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for 3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one is CC1COC2(C=CC(=O)C2)O1.
What is the InChIKey of 3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is GJGVIASEJPJDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-6-5-10-8(11-6)3-2-7(9)4-8/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 154.16 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 13197629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).