5-[3-(methoxymethoxy)propyl]oxolan-3-one

C9H16O4 — CID 134859900

IUPAC5-[3-(methoxymethoxy)propyl]oxolan-3-one
SMILESCOCOCCCC1CC(=O)CO1
InChIInChI=1S/C9H16O4/c1-11-7-12-4-2-3-9-5-8(10)6-13-9/h9H,2-7H2,1H3
InChIKeyOLGDSFVCUCIWLO-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.75
Rot. Bonds6

About 5-[3-(methoxymethoxy)propyl]oxolan-3-one

5-[3-(methoxymethoxy)propyl]oxolan-3-one (PubChem CID 134859900) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-[3-(methoxymethoxy)propyl]oxolan-3-one.

Molecular Properties

Compound Name5-[3-(methoxymethoxy)propyl]oxolan-3-one
PubChem CID134859900
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name5-[3-(methoxymethoxy)propyl]oxolan-3-one
SMILESCOCOCCCC1CC(=O)CO1
InChIInChI=1S/C9H16O4/c1-11-7-12-4-2-3-9-5-8(10)6-13-9/h9H,2-7H2,1H3
InChIKeyOLGDSFVCUCIWLO-UHFFFAOYSA-N
XLogP0.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-2-methoxy-2-methyl-5-undecyloxolan-3-one
CID 11119635
1-[(4S,5R)-5-butyl-2-methoxy-1,3-dioxolan-4-yl]ethanone
CID 135036879
1-(2,5-Dimethoxyoxolan-2-yl)pentan-1-one
CID 15721336
1-(2,5-Dimethoxyoxolan-2-yl)heptan-1-one
CID 15721337
1-(2,5-Dimethoxyoxolan-2-yl)nonan-1-one
CID 15721338
2-Methoxy-2-methyl-5-undecyloxolan-3-one
CID 85405640
5-Methoxy-2-(2-oxopropyl)oxolan-3-one
CID 70631319
1-[2-(Oxepan-2-yl)-1,3-dioxolan-2-yl]propan-1-one
CID 88737356
1-[(4S,5R)-5-acetyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 118214818
(2R,5R)-5-ethyl-2-methoxyoxolan-3-one
CID 122450181
1,1,1-Tri(propan-2-yloxy)heptane-2,3-dione
CID 141041790
1,1-Di(propan-2-yloxy)heptane-2,3-dione
CID 141080519

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethoxy)propyl]oxolan-3-one?
The IUPAC name of 5-[3-(methoxymethoxy)propyl]oxolan-3-one (CID 134859900) is 5-[3-(methoxymethoxy)propyl]oxolan-3-one.
What is the SMILES notation for 5-[3-(methoxymethoxy)propyl]oxolan-3-one?
The canonical SMILES for 5-[3-(methoxymethoxy)propyl]oxolan-3-one is COCOCCCC1CC(=O)CO1.
What is the InChIKey of 5-[3-(methoxymethoxy)propyl]oxolan-3-one?
The InChIKey is OLGDSFVCUCIWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-11-7-12-4-2-3-9-5-8(10)6-13-9/h9H,2-7H2,1H3.
What are the key properties of 5-[3-(methoxymethoxy)propyl]oxolan-3-one?
5-[3-(methoxymethoxy)propyl]oxolan-3-one has a molecular weight of 188.22 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethoxy)propyl]oxolan-3-one is sourced from PubChem (CID 134859900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).