3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran

C10H14O — CID 11205858

IUPAC3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran
SMILESCC1=CC2=C(C)COC2CC1
InChIInChI=1S/C10H14O/c1-7-3-4-10-9(5-7)8(2)6-11-10/h5,10H,3-4,6H2,1-2H3
InChIKeyXBMXVGBMAGINKX-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.44
Rot. Bonds

About 3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran

3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran (PubChem CID 11205858) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran
PubChem CID11205858
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran
SMILESCC1=CC2=C(C)COC2CC1
InChIInChI=1S/C10H14O/c1-7-3-4-10-9(5-7)8(2)6-11-10/h5,10H,3-4,6H2,1-2H3
InChIKeyXBMXVGBMAGINKX-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran?
The IUPAC name of 3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran (CID 11205858) is 3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran.
What is the SMILES notation for 3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran?
The canonical SMILES for 3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran is CC1=CC2=C(C)COC2CC1.
What is the InChIKey of 3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran?
The InChIKey is XBMXVGBMAGINKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-3-4-10-9(5-7)8(2)6-11-10/h5,10H,3-4,6H2,1-2H3.
What are the key properties of 3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran?
3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran has a molecular weight of 150.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,6,7,7a-tetrahydro-1-benzofuran is sourced from PubChem (CID 11205858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).