2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one

C14H20O4 — CID 11482154

IUPAC2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one
SMILESC=C(OC)C1(OC)CC2=C(CC(C)(C)CC2=O)O1
InChIInChI=1S/C14H20O4/c1-9(16-4)14(17-5)6-10-11(15)7-13(2,3)8-12(10)18-14/h1,6-8H2,2-5H3
InChIKeyCHXSZLLSGSTPAH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.55
Rot. Bonds3

About 2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one

2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one (PubChem CID 11482154) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one
PubChem CID11482154
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one
SMILESC=C(OC)C1(OC)CC2=C(CC(C)(C)CC2=O)O1
InChIInChI=1S/C14H20O4/c1-9(16-4)14(17-5)6-10-11(15)7-13(2,3)8-12(10)18-14/h1,6-8H2,2-5H3
InChIKeyCHXSZLLSGSTPAH-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one?
The IUPAC name of 2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one (CID 11482154) is 2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one.
What is the SMILES notation for 2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one?
The canonical SMILES for 2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one is C=C(OC)C1(OC)CC2=C(CC(C)(C)CC2=O)O1.
What is the InChIKey of 2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one?
The InChIKey is CHXSZLLSGSTPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9(16-4)14(17-5)6-10-11(15)7-13(2,3)8-12(10)18-14/h1,6-8H2,2-5H3.
What are the key properties of 2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one?
2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one has a molecular weight of 252.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1-methoxyethenyl)-6,6-dimethyl-5,7-dihydro-3H-1-benzofuran-4-one is sourced from PubChem (CID 11482154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).