6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione

C13H14O4 — CID 10955483

IUPAC6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCOC1=CC(=O)C=C(OC)C12CC(=O)C=C2C
InChIInChI=1S/C13H14O4/c1-8-4-10(15)7-13(8)11(16-2)5-9(14)6-12(13)17-3/h4-6H,7H2,1-3H3
InChIKeyOYQQTILIJWQQOG-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.54
Rot. Bonds2

About 6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione

6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 10955483) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID10955483
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCOC1=CC(=O)C=C(OC)C12CC(=O)C=C2C
InChIInChI=1S/C13H14O4/c1-8-4-10(15)7-13(8)11(16-2)5-9(14)6-12(13)17-3/h4-6H,7H2,1-3H3
InChIKeyOYQQTILIJWQQOG-UHFFFAOYSA-N
XLogP1.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-
CID 138318
10-Methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one
CID 166446963
3-Methoxy-6,6-dimethylcyclohex-2-en-1-one
CID 15738550
2,3-Dimethoxy-5-methyl-6-(2,5,6,6-tetramethylhept-4-en-2-yl)cyclohexa-2,5-diene-1,4-dione
CID 123940941
2,3-dimethoxy-5-methyl-6-[(E)-2,5,6,6-tetramethylhept-4-en-2-yl]cyclohexa-2,5-diene-1,4-dione
CID 129209030
2-(3,6-Dimethylhept-5-en-3-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 139437012
2-(2,5-Dimethylhex-4-en-2-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 143060831
2-(2,5-Dimethylhex-4-en-2-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione;ethane
CID 144433733
2-[(E)-2,5-dimethyloct-4-en-2-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 144831678
10-Methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 14942146
3-Methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopent-2-en-1-one
CID 25228224
3-Methoxy-5,5-dimethylcyclopent-2-en-1-one
CID 85860688

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 10955483) is 6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione is COC1=CC(=O)C=C(OC)C12CC(=O)C=C2C.
What is the InChIKey of 6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is OYQQTILIJWQQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-8-4-10(15)7-13(8)11(16-2)5-9(14)6-12(13)17-3/h4-6H,7H2,1-3H3.
What are the key properties of 6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 234.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 10955483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).