(7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran

C13H24O — CID 89284134

IUPAC(7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
SMILESCCCC1O[C@H]2CCCCC2C1CC
InChIInChI=1S/C13H24O/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h10-13H,3-9H2,1-2H3/t10?,11?,12?,13-/m0/s1
InChIKeyUZPTVLBMMYECIX-SKQCGHHBSA-N
MW196.33 g/mol
LogP3.77
Rot. Bonds3

About (7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran

(7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran (PubChem CID 89284134) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran.

Molecular Properties

Compound Name(7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
PubChem CID89284134
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
SMILESCCCC1O[C@H]2CCCCC2C1CC
InChIInChI=1S/C13H24O/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h10-13H,3-9H2,1-2H3/t10?,11?,12?,13-/m0/s1
InChIKeyUZPTVLBMMYECIX-SKQCGHHBSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
The IUPAC name of (7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran (CID 89284134) is (7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran.
What is the SMILES notation for (7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
The canonical SMILES for (7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran is CCCC1O[C@H]2CCCCC2C1CC.
What is the InChIKey of (7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
The InChIKey is UZPTVLBMMYECIX-SKQCGHHBSA-N. The full InChI is InChI=1S/C13H24O/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h10-13H,3-9H2,1-2H3/t10?,11?,12?,13-/m0/s1.
What are the key properties of (7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
(7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran has a molecular weight of 196.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran is sourced from PubChem (CID 89284134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).