[(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate

C10H16O4 — CID 15880020

IUPAC[(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](CC(C)C)OC1=O
InChIInChI=1S/C10H16O4/c1-6(2)4-8-5-9(10(12)14-8)13-7(3)11/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeyYMEXAYMRNVLSLH-BDAKNGLRSA-N
MW200.23 g/mol
LogP1.28
Rot. Bonds3

About [(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate

[(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate (PubChem CID 15880020) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate
PubChem CID15880020
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](CC(C)C)OC1=O
InChIInChI=1S/C10H16O4/c1-6(2)4-8-5-9(10(12)14-8)13-7(3)11/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeyYMEXAYMRNVLSLH-BDAKNGLRSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate?
The IUPAC name of [(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate (CID 15880020) is [(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate.
What is the SMILES notation for [(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate?
The canonical SMILES for [(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate is CC(=O)O[C@H]1C[C@@H](CC(C)C)OC1=O.
What is the InChIKey of [(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate?
The InChIKey is YMEXAYMRNVLSLH-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O4/c1-6(2)4-8-5-9(10(12)14-8)13-7(3)11/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of [(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate?
[(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate has a molecular weight of 200.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-(2-methylpropyl)-2-oxooxolan-3-yl] acetate is sourced from PubChem (CID 15880020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).