[(2S,4R)-4-methyloxan-2-yl] acetate

C8H14O3 — CID 170847579

IUPAC[(2S,4R)-4-methyloxan-2-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](C)CCO1
InChIInChI=1S/C8H14O3/c1-6-3-4-10-8(5-6)11-7(2)9/h6,8H,3-5H2,1-2H3/t6-,8+/m1/s1
InChIKeyXBGOZVRDLCTUKN-SVRRBLITSA-N
MW158.20 g/mol
LogP1.32
Rot. Bonds1

About [(2S,4R)-4-methyloxan-2-yl] acetate

[(2S,4R)-4-methyloxan-2-yl] acetate (PubChem CID 170847579) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(2S,4R)-4-methyloxan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,4R)-4-methyloxan-2-yl] acetate
PubChem CID170847579
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(2S,4R)-4-methyloxan-2-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](C)CCO1
InChIInChI=1S/C8H14O3/c1-6-3-4-10-8(5-6)11-7(2)9/h6,8H,3-5H2,1-2H3/t6-,8+/m1/s1
InChIKeyXBGOZVRDLCTUKN-SVRRBLITSA-N
XLogP1.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S,4R)-4-methyloxan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-methyloxan-2-yl] acetate?
The IUPAC name of [(2S,4R)-4-methyloxan-2-yl] acetate (CID 170847579) is [(2S,4R)-4-methyloxan-2-yl] acetate.
What is the SMILES notation for [(2S,4R)-4-methyloxan-2-yl] acetate?
The canonical SMILES for [(2S,4R)-4-methyloxan-2-yl] acetate is CC(=O)O[C@H]1C[C@H](C)CCO1.
What is the InChIKey of [(2S,4R)-4-methyloxan-2-yl] acetate?
The InChIKey is XBGOZVRDLCTUKN-SVRRBLITSA-N. The full InChI is InChI=1S/C8H14O3/c1-6-3-4-10-8(5-6)11-7(2)9/h6,8H,3-5H2,1-2H3/t6-,8+/m1/s1.
What are the key properties of [(2S,4R)-4-methyloxan-2-yl] acetate?
[(2S,4R)-4-methyloxan-2-yl] acetate has a molecular weight of 158.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-methyloxan-2-yl] acetate is sourced from PubChem (CID 170847579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).