3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran

C10H14O — CID 59986092

IUPAC3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran
SMILESCC1=CCC2=C(C1)OCC2C
InChIInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3,8H,4-6H2,1-2H3
InChIKeyRQWBOKQXDMZWFS-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds

About 3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran

3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran (PubChem CID 59986092) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran
PubChem CID59986092
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran
SMILESCC1=CCC2=C(C1)OCC2C
InChIInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3,8H,4-6H2,1-2H3
InChIKeyRQWBOKQXDMZWFS-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran?
The IUPAC name of 3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran (CID 59986092) is 3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran.
What is the SMILES notation for 3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran?
The canonical SMILES for 3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran is CC1=CCC2=C(C1)OCC2C.
What is the InChIKey of 3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran?
The InChIKey is RQWBOKQXDMZWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3,8H,4-6H2,1-2H3.
What are the key properties of 3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran?
3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran has a molecular weight of 150.22 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,3,4,7-tetrahydro-1-benzofuran is sourced from PubChem (CID 59986092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).