2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran

C10H14O — CID 20558721

IUPAC2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran
SMILESCC1(C)CC2C=CC=CC2O1
InChIInChI=1S/C10H14O/c1-10(2)7-8-5-3-4-6-9(8)11-10/h3-6,8-9H,7H2,1-2H3
InChIKeyGEHGOYVLMKFEES-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds

About 2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran

2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran (PubChem CID 20558721) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran.

Molecular Properties

Compound Name2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran
PubChem CID20558721
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran
SMILESCC1(C)CC2C=CC=CC2O1
InChIInChI=1S/C10H14O/c1-10(2)7-8-5-3-4-6-9(8)11-10/h3-6,8-9H,7H2,1-2H3
InChIKeyGEHGOYVLMKFEES-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran?
The IUPAC name of 2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran (CID 20558721) is 2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran.
What is the SMILES notation for 2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran?
The canonical SMILES for 2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran is CC1(C)CC2C=CC=CC2O1.
What is the InChIKey of 2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran?
The InChIKey is GEHGOYVLMKFEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-10(2)7-8-5-3-4-6-9(8)11-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran?
2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran has a molecular weight of 150.22 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran is sourced from PubChem (CID 20558721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).