7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran

C11H14O — CID 58060612

IUPAC7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran
SMILESCC(C)=C1C=CCC2C=COC12
InChIInChI=1S/C11H14O/c1-8(2)10-5-3-4-9-6-7-12-11(9)10/h3,5-7,9,11H,4H2,1-2H3
InChIKeyVESUWVHAEKYFMY-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.81
Rot. Bonds

About 7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran

7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran (PubChem CID 58060612) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran.

Molecular Properties

Compound Name7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran
PubChem CID58060612
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran
SMILESCC(C)=C1C=CCC2C=COC12
InChIInChI=1S/C11H14O/c1-8(2)10-5-3-4-9-6-7-12-11(9)10/h3,5-7,9,11H,4H2,1-2H3
InChIKeyVESUWVHAEKYFMY-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran?
The IUPAC name of 7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran (CID 58060612) is 7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran.
What is the SMILES notation for 7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran?
The canonical SMILES for 7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran is CC(C)=C1C=CCC2C=COC12.
What is the InChIKey of 7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran?
The InChIKey is VESUWVHAEKYFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-8(2)10-5-3-4-9-6-7-12-11(9)10/h3,5-7,9,11H,4H2,1-2H3.
What are the key properties of 7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran?
7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran has a molecular weight of 162.23 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylidene-4,7a-dihydro-3aH-1-benzofuran is sourced from PubChem (CID 58060612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).