7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran

C11H20O2 — CID 142607560

IUPAC7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
SMILESCOC1CCCC2CC(C)(C)OC21
InChIInChI=1S/C11H20O2/c1-11(2)7-8-5-4-6-9(12-3)10(8)13-11/h8-10H,4-7H2,1-3H3
InChIKeyROSJWLXLFPNPJY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.37
Rot. Bonds1

About 7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran

7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran (PubChem CID 142607560) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
PubChem CID142607560
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
SMILESCOC1CCCC2CC(C)(C)OC21
InChIInChI=1S/C11H20O2/c1-11(2)7-8-5-4-6-9(12-3)10(8)13-11/h8-10H,4-7H2,1-3H3
InChIKeyROSJWLXLFPNPJY-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
The IUPAC name of 7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran (CID 142607560) is 7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
The canonical SMILES for 7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran is COC1CCCC2CC(C)(C)OC21.
What is the InChIKey of 7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
The InChIKey is ROSJWLXLFPNPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2)7-8-5-4-6-9(12-3)10(8)13-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran has a molecular weight of 184.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran is sourced from PubChem (CID 142607560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).