7-tert-butyl-3,3-dimethyl-2H-1-benzofuran

C14H20O — CID 11805831

IUPAC7-tert-butyl-3,3-dimethyl-2H-1-benzofuran
SMILESCC(C)(C)c1cccc2c1OCC2(C)C
InChIInChI=1S/C14H20O/c1-13(2,3)10-7-6-8-11-12(10)15-9-14(11,4)5/h6-8H,9H2,1-5H3
InChIKeyXPMZKMOUKYQSPE-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.65
Rot. Bonds

About 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran

7-tert-butyl-3,3-dimethyl-2H-1-benzofuran (PubChem CID 11805831) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran.

Molecular Properties

Compound Name7-tert-butyl-3,3-dimethyl-2H-1-benzofuran
PubChem CID11805831
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name7-tert-butyl-3,3-dimethyl-2H-1-benzofuran
SMILESCC(C)(C)c1cccc2c1OCC2(C)C
InChIInChI=1S/C14H20O/c1-13(2,3)10-7-6-8-11-12(10)15-9-14(11,4)5/h6-8H,9H2,1-5H3
InChIKeyXPMZKMOUKYQSPE-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran?
The IUPAC name of 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran (CID 11805831) is 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran.
What is the SMILES notation for 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran?
The canonical SMILES for 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran is CC(C)(C)c1cccc2c1OCC2(C)C.
What is the InChIKey of 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran?
The InChIKey is XPMZKMOUKYQSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-13(2,3)10-7-6-8-11-12(10)15-9-14(11,4)5/h6-8H,9H2,1-5H3.
What are the key properties of 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran?
7-tert-butyl-3,3-dimethyl-2H-1-benzofuran has a molecular weight of 204.31 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3,3-dimethyl-2H-1-benzofuran is sourced from PubChem (CID 11805831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).