3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran

C10H14O — CID 67280127

IUPAC3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran
SMILESCC1(C)COC2=CC=CCC21
InChIInChI=1S/C10H14O/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-4,6,8H,5,7H2,1-2H3
InChIKeyCESPDSVLJMKMHT-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.50
Rot. Bonds

About 3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran

3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran (PubChem CID 67280127) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran.

Molecular Properties

Compound Name3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran
PubChem CID67280127
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran
SMILESCC1(C)COC2=CC=CCC21
InChIInChI=1S/C10H14O/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-4,6,8H,5,7H2,1-2H3
InChIKeyCESPDSVLJMKMHT-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran?
The IUPAC name of 3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran (CID 67280127) is 3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran.
What is the SMILES notation for 3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran?
The canonical SMILES for 3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran is CC1(C)COC2=CC=CCC21.
What is the InChIKey of 3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran?
The InChIKey is CESPDSVLJMKMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran?
3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran has a molecular weight of 150.22 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran is sourced from PubChem (CID 67280127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).