1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran

C10H14O — CID 118461829

IUPAC1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran
SMILESCC1=CC2C(C=C1)COC2C
InChIInChI=1S/C10H14O/c1-7-3-4-9-6-11-8(2)10(9)5-7/h3-5,8-10H,6H2,1-2H3
InChIKeyXXLOGAIQWUPRKN-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.15
Rot. Bonds

About 1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran

1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran (PubChem CID 118461829) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran.

Molecular Properties

Compound Name1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran
PubChem CID118461829
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran
SMILESCC1=CC2C(C=C1)COC2C
InChIInChI=1S/C10H14O/c1-7-3-4-9-6-11-8(2)10(9)5-7/h3-5,8-10H,6H2,1-2H3
InChIKeyXXLOGAIQWUPRKN-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4a,5a,9a,9b-Tetrahydrodibenzofuran
CID 153874
(3aS,7aR)-7a-methyl-3,3a,4,7-tetrahydro-2H-1-benzofuran
CID 25023282
2-Methyl-2,3,3a,7a-tetrahydro-1-benzofuran
CID 12614934
1-Methyl-1,3,3a,4-tetrahydro-2-benzofuran
CID 17956373
2,2-dimethyl-3a,7a-dihydro-3H-1-benzofuran
CID 20558721
2-Methyl-2,3,3a,4-tetrahydro-1-benzofuran
CID 22238196
7-Methyl-2,3,3a,4-tetrahydro-1-benzofuran
CID 56618574
5-Methyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran
CID 59986090
15-Oxatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9,11-hexaene
CID 60101478
5-Prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene
CID 66874661
3,3-dimethyl-3a,4-dihydro-2H-1-benzofuran
CID 67280127
6-Ethyl-2,3,3a,7a-tetrahydro-1-benzofuran
CID 68198334

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran?
The IUPAC name of 1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran (CID 118461829) is 1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran.
What is the SMILES notation for 1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran?
The canonical SMILES for 1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran is CC1=CC2C(C=C1)COC2C.
What is the InChIKey of 1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran?
The InChIKey is XXLOGAIQWUPRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-3-4-9-6-11-8(2)10(9)5-7/h3-5,8-10H,6H2,1-2H3.
What are the key properties of 1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran?
1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran has a molecular weight of 150.22 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran is sourced from PubChem (CID 118461829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).