7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran

C16H24O — CID 173236217

IUPAC7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
SMILESCC(C)(C)CC(C)(C)c1cccc2c1OCC2
InChIInChI=1S/C16H24O/c1-15(2,3)11-16(4,5)13-8-6-7-12-9-10-17-14(12)13/h6-8H,9-11H2,1-5H3
InChIKeyZDGWUXGQGPUPNY-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.34
Rot. Bonds2

About 7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran

7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran (PubChem CID 173236217) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
PubChem CID173236217
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
SMILESCC(C)(C)CC(C)(C)c1cccc2c1OCC2
InChIInChI=1S/C16H24O/c1-15(2,3)11-16(4,5)13-8-6-7-12-9-10-17-14(12)13/h6-8H,9-11H2,1-5H3
InChIKeyZDGWUXGQGPUPNY-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran (CID 173236217) is 7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran is CC(C)(C)CC(C)(C)c1cccc2c1OCC2.
What is the InChIKey of 7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran?
The InChIKey is ZDGWUXGQGPUPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-15(2,3)11-16(4,5)13-8-6-7-12-9-10-17-14(12)13/h6-8H,9-11H2,1-5H3.
What are the key properties of 7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran?
7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran has a molecular weight of 232.37 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 173236217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).