2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one

C12H16O3 — CID 121014676

IUPAC2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one
SMILESC=C1CCCC12CC(OC)=C(OC)C2=O
InChIInChI=1S/C12H16O3/c1-8-5-4-6-12(8)7-9(14-2)10(15-3)11(12)13/h1,4-7H2,2-3H3
InChIKeyCVBOUNVDMBOWRV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.19
Rot. Bonds2

About 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one

2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one (PubChem CID 121014676) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one.

Molecular Properties

Compound Name2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one
PubChem CID121014676
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one
SMILESC=C1CCCC12CC(OC)=C(OC)C2=O
InChIInChI=1S/C12H16O3/c1-8-5-4-6-12(8)7-9(14-2)10(15-3)11(12)13/h1,4-7H2,2-3H3
InChIKeyCVBOUNVDMBOWRV-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-3,5,5-trimethyl-2-cyclohexenone
CID 11768958
2,3-Dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione
CID 11138700
(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione
CID 10956030
(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-en-4-one
CID 11746678
3-Hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one
CID 16663585
3-Methoxy-9-methylidenespiro[4.4]non-3-en-2-one
CID 16663697
(4,5-Dihydrofuran-2-yl)(4,4-dimethylcyclopent-1-en-1-yl)methanone
CID 45098700
(5R)-2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one
CID 102086927
9-Ethenyl-2,3-dimethoxyspiro[4.4]non-2-en-4-one
CID 102464428
2,3-Dihydrofuran-5-yl-(1-ethylcyclopentyl)methanone
CID 102652709
2,3-Dihydrofuran-5-yl-(1-methylcyclopentyl)methanone
CID 102652768

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one?
The IUPAC name of 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one (CID 121014676) is 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one.
What is the SMILES notation for 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one?
The canonical SMILES for 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one is C=C1CCCC12CC(OC)=C(OC)C2=O.
What is the InChIKey of 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one?
The InChIKey is CVBOUNVDMBOWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-5-4-6-12(8)7-9(14-2)10(15-3)11(12)13/h1,4-7H2,2-3H3.
What are the key properties of 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one?
2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one has a molecular weight of 208.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one is sourced from PubChem (CID 121014676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).