(4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one

C9H16O4 — CID 101002966

IUPAC(4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one
SMILESCC[C@@]1(COC)OC(=O)C[C@H]1OC
InChIInChI=1S/C9H16O4/c1-4-9(6-11-2)7(12-3)5-8(10)13-9/h7H,4-6H2,1-3H3/t7-,9+/m1/s1
InChIKeyNHNLAUWOSXOKIU-APPZFPTMSA-N
MW188.22 g/mol
LogP0.74
Rot. Bonds4

About (4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one

(4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one (PubChem CID 101002966) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one
PubChem CID101002966
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one
SMILESCC[C@@]1(COC)OC(=O)C[C@H]1OC
InChIInChI=1S/C9H16O4/c1-4-9(6-11-2)7(12-3)5-8(10)13-9/h7H,4-6H2,1-3H3/t7-,9+/m1/s1
InChIKeyNHNLAUWOSXOKIU-APPZFPTMSA-N
XLogP0.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one?
The IUPAC name of (4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one (CID 101002966) is (4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one.
What is the SMILES notation for (4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one?
The canonical SMILES for (4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one is CC[C@@]1(COC)OC(=O)C[C@H]1OC.
What is the InChIKey of (4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one?
The InChIKey is NHNLAUWOSXOKIU-APPZFPTMSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-9(6-11-2)7(12-3)5-8(10)13-9/h7H,4-6H2,1-3H3/t7-,9+/m1/s1.
What are the key properties of (4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one?
(4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one has a molecular weight of 188.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one is sourced from PubChem (CID 101002966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).