(3S,4S)-4-ethyl-3-propyloxolan-2-one

C9H16O2 — CID 101032694

IUPAC(3S,4S)-4-ethyl-3-propyloxolan-2-one
SMILESCCC[C@@H]1C(=O)OC[C@H]1CC
InChIInChI=1S/C9H16O2/c1-3-5-8-7(4-2)6-11-9(8)10/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyGRJPFASLUAHZDT-SFYZADRCSA-N
MW156.23 g/mol
LogP1.99
Rot. Bonds3

About (3S,4S)-4-ethyl-3-propyloxolan-2-one

(3S,4S)-4-ethyl-3-propyloxolan-2-one (PubChem CID 101032694) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is (3S,4S)-4-ethyl-3-propyloxolan-2-one.

Molecular Properties

Compound Name(3S,4S)-4-ethyl-3-propyloxolan-2-one
PubChem CID101032694
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name(3S,4S)-4-ethyl-3-propyloxolan-2-one
SMILESCCC[C@@H]1C(=O)OC[C@H]1CC
InChIInChI=1S/C9H16O2/c1-3-5-8-7(4-2)6-11-9(8)10/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyGRJPFASLUAHZDT-SFYZADRCSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethyl-3-propyloxolan-2-one?
The IUPAC name of (3S,4S)-4-ethyl-3-propyloxolan-2-one (CID 101032694) is (3S,4S)-4-ethyl-3-propyloxolan-2-one.
What is the SMILES notation for (3S,4S)-4-ethyl-3-propyloxolan-2-one?
The canonical SMILES for (3S,4S)-4-ethyl-3-propyloxolan-2-one is CCC[C@@H]1C(=O)OC[C@H]1CC.
What is the InChIKey of (3S,4S)-4-ethyl-3-propyloxolan-2-one?
The InChIKey is GRJPFASLUAHZDT-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-8-7(4-2)6-11-9(8)10/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3S,4S)-4-ethyl-3-propyloxolan-2-one?
(3S,4S)-4-ethyl-3-propyloxolan-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethyl-3-propyloxolan-2-one is sourced from PubChem (CID 101032694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).