2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran

C10H16O — CID 59864381

IUPAC2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
SMILESCC1=C(C)C2CCCCC2O1
InChIInChI=1S/C10H16O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h9-10H,3-6H2,1-2H3
InChIKeyRMUMQZGNVOYRML-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.87
Rot. Bonds

About 2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran

2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran (PubChem CID 59864381) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran.

Molecular Properties

Compound Name2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
PubChem CID59864381
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
SMILESCC1=C(C)C2CCCCC2O1
InChIInChI=1S/C10H16O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h9-10H,3-6H2,1-2H3
InChIKeyRMUMQZGNVOYRML-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
The IUPAC name of 2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran (CID 59864381) is 2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran.
What is the SMILES notation for 2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
The canonical SMILES for 2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran is CC1=C(C)C2CCCCC2O1.
What is the InChIKey of 2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
The InChIKey is RMUMQZGNVOYRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h9-10H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran has a molecular weight of 152.24 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran is sourced from PubChem (CID 59864381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).