3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran

C11H16O — CID 67560117

IUPAC3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran
SMILESCC1=CC2(C)CCOC2(C)C=C1
InChIInChI=1S/C11H16O/c1-9-4-5-11(3)10(2,8-9)6-7-12-11/h4-5,8H,6-7H2,1-3H3
InChIKeyLIEKEZMOZNRWTM-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds

About 3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran

3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran (PubChem CID 67560117) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran
PubChem CID67560117
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran
SMILESCC1=CC2(C)CCOC2(C)C=C1
InChIInChI=1S/C11H16O/c1-9-4-5-11(3)10(2,8-9)6-7-12-11/h4-5,8H,6-7H2,1-3H3
InChIKeyLIEKEZMOZNRWTM-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran (CID 67560117) is 3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran is CC1=CC2(C)CCOC2(C)C=C1.
What is the InChIKey of 3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran?
The InChIKey is LIEKEZMOZNRWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9-4-5-11(3)10(2,8-9)6-7-12-11/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran?
3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 164.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,5,7a-trimethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 67560117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).