2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran

C11H16O — CID 143607654

IUPAC2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran
SMILESCC1=C2OC(C)(C)CC2=CCC1
InChIInChI=1S/C11H16O/c1-8-5-4-6-9-7-11(2,3)12-10(8)9/h6H,4-5,7H2,1-3H3
InChIKeyIWUTXCJMSGKAOL-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.18
Rot. Bonds

About 2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran

2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran (PubChem CID 143607654) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran.

Molecular Properties

Compound Name2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran
PubChem CID143607654
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran
SMILESCC1=C2OC(C)(C)CC2=CCC1
InChIInChI=1S/C11H16O/c1-8-5-4-6-9-7-11(2,3)12-10(8)9/h6H,4-5,7H2,1-3H3
InChIKeyIWUTXCJMSGKAOL-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol
CID 163801969
8-methyl-6,7-dihydro-4H-1,3-benzodioxine
CID 89384807
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296
2,2,5,6-tetramethyl-3H-1-benzofuran-4,7-dione
CID 10954716
5,6-dimethylcyclohexa-1,5-dien-1-amine
CID 143080216
2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 14982407
2,5-dimethyl-3H-furan-2-amine
CID 66616310
5-methyl-3,4,6,7-tetrahydroquinoline
CID 143900748
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
ethane;2,2,4,7-tetramethyl-3H-1-benzofuran
CID 177194510
2,2,4,5,7-pentamethyl-3H-1-benzofuran
CID 19047070

Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran?
The IUPAC name of 2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran (CID 143607654) is 2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran.
What is the SMILES notation for 2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran?
The canonical SMILES for 2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran is CC1=C2OC(C)(C)CC2=CCC1.
What is the InChIKey of 2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran?
The InChIKey is IWUTXCJMSGKAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8-5-4-6-9-7-11(2,3)12-10(8)9/h6H,4-5,7H2,1-3H3.
What are the key properties of 2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran?
2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran has a molecular weight of 164.25 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7-trimethyl-5,6-dihydro-3H-1-benzofuran is sourced from PubChem (CID 143607654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).