6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran

C11H16O — CID 170045955

IUPAC6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran
SMILESCC(C)C1=CCC2COCC2=C1
InChIInChI=1S/C11H16O/c1-8(2)9-3-4-10-6-12-7-11(10)5-9/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyZCUNGFQSJOJACR-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds1

About 6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran

6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran (PubChem CID 170045955) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran.

Molecular Properties

Compound Name6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran
PubChem CID170045955
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran
SMILESCC(C)C1=CCC2COCC2=C1
InChIInChI=1S/C11H16O/c1-8(2)9-3-4-10-6-12-7-11(10)5-9/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyZCUNGFQSJOJACR-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran?
The IUPAC name of 6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran (CID 170045955) is 6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran.
What is the SMILES notation for 6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran?
The canonical SMILES for 6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran is CC(C)C1=CCC2COCC2=C1.
What is the InChIKey of 6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran?
The InChIKey is ZCUNGFQSJOJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8(2)9-3-4-10-6-12-7-11(10)5-9/h3,5,8,10H,4,6-7H2,1-2H3.
What are the key properties of 6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran?
6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran has a molecular weight of 164.25 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran is sourced from PubChem (CID 170045955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).