(3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran

C10H14O — CID 102207461

IUPAC(3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran
SMILESCCC1=C[C@@H]2CCC=C[C@@H]2O1
InChIInChI=1S/C10H14O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h4,6-8,10H,2-3,5H2,1H3/t8-,10-/m0/s1
InChIKeyASAUIYPKTXLGBN-WPRPVWTQSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds1

About (3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran

(3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran (PubChem CID 102207461) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name(3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran
PubChem CID102207461
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran
SMILESCCC1=C[C@@H]2CCC=C[C@@H]2O1
InChIInChI=1S/C10H14O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h4,6-8,10H,2-3,5H2,1H3/t8-,10-/m0/s1
InChIKeyASAUIYPKTXLGBN-WPRPVWTQSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran?
The IUPAC name of (3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran (CID 102207461) is (3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran.
What is the SMILES notation for (3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran?
The canonical SMILES for (3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran is CCC1=C[C@@H]2CCC=C[C@@H]2O1.
What is the InChIKey of (3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran?
The InChIKey is ASAUIYPKTXLGBN-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H14O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h4,6-8,10H,2-3,5H2,1H3/t8-,10-/m0/s1.
What are the key properties of (3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran?
(3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran has a molecular weight of 150.22 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-2-ethyl-3a,4,5,7a-tetrahydro-1-benzofuran is sourced from PubChem (CID 102207461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).