2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate

C12H22O3 — CID 70905687

IUPAC2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate
SMILESCC[C@@H]1O[C@H](CCOC(C)=O)C(C)C1C
InChIInChI=1S/C12H22O3/c1-5-11-8(2)9(3)12(15-11)6-7-14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t8?,9?,11-,12+/m0/s1
InChIKeyGYGOUCWVGGLOBV-CHCPCTANSA-N
MW214.30 g/mol
LogP2.39
Rot. Bonds4

About 2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate

2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate (PubChem CID 70905687) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate
PubChem CID70905687
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate
SMILESCC[C@@H]1O[C@H](CCOC(C)=O)C(C)C1C
InChIInChI=1S/C12H22O3/c1-5-11-8(2)9(3)12(15-11)6-7-14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t8?,9?,11-,12+/m0/s1
InChIKeyGYGOUCWVGGLOBV-CHCPCTANSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate?
The IUPAC name of 2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate (CID 70905687) is 2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate.
What is the SMILES notation for 2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate?
The canonical SMILES for 2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate is CC[C@@H]1O[C@H](CCOC(C)=O)C(C)C1C.
What is the InChIKey of 2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate?
The InChIKey is GYGOUCWVGGLOBV-CHCPCTANSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-11-8(2)9(3)12(15-11)6-7-14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t8?,9?,11-,12+/m0/s1.
What are the key properties of 2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate?
2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate has a molecular weight of 214.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate is sourced from PubChem (CID 70905687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).