6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one

C9H12O3 — CID 130036533

IUPAC6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one
SMILESC=CCC1CC(=O)C=C(OC)O1
InChIInChI=1S/C9H12O3/c1-3-4-8-5-7(10)6-9(11-2)12-8/h3,6,8H,1,4-5H2,2H3
InChIKeyUKCLSMAZJVNMKT-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.41
Rot. Bonds3

About 6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one

6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one (PubChem CID 130036533) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one
PubChem CID130036533
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one
SMILESC=CCC1CC(=O)C=C(OC)O1
InChIInChI=1S/C9H12O3/c1-3-4-8-5-7(10)6-9(11-2)12-8/h3,6,8H,1,4-5H2,2H3
InChIKeyUKCLSMAZJVNMKT-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.41
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

(5S)-5-(methoxymethoxy)cyclohex-2-en-1-one
CID 11686945
6-Methoxy-2-propan-2-yl-2,3-dihydropyran-4-one
CID 13250339
5-(Methoxymethoxy)cyclohex-2-en-1-one
CID 73062220

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one?
The IUPAC name of 6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one (CID 130036533) is 6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one?
The canonical SMILES for 6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one is C=CCC1CC(=O)C=C(OC)O1.
What is the InChIKey of 6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one?
The InChIKey is UKCLSMAZJVNMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-3-4-8-5-7(10)6-9(11-2)12-8/h3,6,8H,1,4-5H2,2H3.
What are the key properties of 6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one?
6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one has a molecular weight of 168.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-prop-2-enyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 130036533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).