2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran

C12H18O — CID 59930164

IUPAC2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran
SMILESCC1(C)OC2C=CC=CC2C1(C)C
InChIInChI=1S/C12H18O/c1-11(2)9-7-5-6-8-10(9)13-12(11,3)4/h5-10H,1-4H3
InChIKeySJFGOHPVDMNKPX-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.93
Rot. Bonds

About 2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran

2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran (PubChem CID 59930164) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran
PubChem CID59930164
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran
SMILESCC1(C)OC2C=CC=CC2C1(C)C
InChIInChI=1S/C12H18O/c1-11(2)9-7-5-6-8-10(9)13-12(11,3)4/h5-10H,1-4H3
InChIKeySJFGOHPVDMNKPX-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran?
The IUPAC name of 2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran (CID 59930164) is 2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran.
What is the SMILES notation for 2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran?
The canonical SMILES for 2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran is CC1(C)OC2C=CC=CC2C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran?
The InChIKey is SJFGOHPVDMNKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-11(2)9-7-5-6-8-10(9)13-12(11,3)4/h5-10H,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran?
2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran has a molecular weight of 178.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-3a,7a-dihydro-1-benzofuran is sourced from PubChem (CID 59930164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).