(4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one

C9H16O4 — CID 102593601

IUPAC(4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one
SMILESCOCO[C@@H](C)[C@@H]1OC(=O)C[C@H]1C
InChIInChI=1S/C9H16O4/c1-6-4-8(10)13-9(6)7(2)12-5-11-3/h6-7,9H,4-5H2,1-3H3/t6-,7+,9-/m1/s1
InChIKeyBBNYJBFMJPZAHX-BKPPORCPSA-N
MW188.22 g/mol
LogP0.95
Rot. Bonds4

About (4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one

(4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one (PubChem CID 102593601) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one
PubChem CID102593601
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one
SMILESCOCO[C@@H](C)[C@@H]1OC(=O)C[C@H]1C
InChIInChI=1S/C9H16O4/c1-6-4-8(10)13-9(6)7(2)12-5-11-3/h6-7,9H,4-5H2,1-3H3/t6-,7+,9-/m1/s1
InChIKeyBBNYJBFMJPZAHX-BKPPORCPSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one?
The IUPAC name of (4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one (CID 102593601) is (4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one.
What is the SMILES notation for (4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one?
The canonical SMILES for (4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one is COCO[C@@H](C)[C@@H]1OC(=O)C[C@H]1C.
What is the InChIKey of (4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one?
The InChIKey is BBNYJBFMJPZAHX-BKPPORCPSA-N. The full InChI is InChI=1S/C9H16O4/c1-6-4-8(10)13-9(6)7(2)12-5-11-3/h6-7,9H,4-5H2,1-3H3/t6-,7+,9-/m1/s1.
What are the key properties of (4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one?
(4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one has a molecular weight of 188.22 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-4-methyloxolan-2-one is sourced from PubChem (CID 102593601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).