2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran

C14H22O2 — CID 101143237

IUPAC2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran
SMILESCOC(C)C1C=C2C(C)(C)C=CCC2(C)O1
InChIInChI=1S/C14H22O2/c1-10(15-5)11-9-12-13(2,3)7-6-8-14(12,4)16-11/h6-7,9-11H,8H2,1-5H3
InChIKeyUPJCVULJSKOMAR-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.09
Rot. Bonds2

About 2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran

2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran (PubChem CID 101143237) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran
PubChem CID101143237
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran
SMILESCOC(C)C1C=C2C(C)(C)C=CCC2(C)O1
InChIInChI=1S/C14H22O2/c1-10(15-5)11-9-12-13(2,3)7-6-8-14(12,4)16-11/h6-7,9-11H,8H2,1-5H3
InChIKeyUPJCVULJSKOMAR-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran?
The IUPAC name of 2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran (CID 101143237) is 2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran.
What is the SMILES notation for 2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran?
The canonical SMILES for 2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran is COC(C)C1C=C2C(C)(C)C=CCC2(C)O1.
What is the InChIKey of 2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran?
The InChIKey is UPJCVULJSKOMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(15-5)11-9-12-13(2,3)7-6-8-14(12,4)16-11/h6-7,9-11H,8H2,1-5H3.
What are the key properties of 2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran?
2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran has a molecular weight of 222.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-4,4,7a-trimethyl-2,7-dihydro-1-benzofuran is sourced from PubChem (CID 101143237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).