methyl 4-(oxan-2-yloxy)butanoate

C10H18O4 — CID 568187

IUPACmethyl 4-(oxan-2-yloxy)butanoate
SMILESCOC(=O)CCCOC1CCCCO1
InChIInChI=1S/C10H18O4/c1-12-9(11)5-4-8-14-10-6-2-3-7-13-10/h10H,2-8H2,1H3
InChIKeyGCDDWHAOKKZJLL-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds5

About methyl 4-(oxan-2-yloxy)butanoate

methyl 4-(oxan-2-yloxy)butanoate (PubChem CID 568187) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 4-(oxan-2-yloxy)butanoate.

Molecular Properties

Compound Namemethyl 4-(oxan-2-yloxy)butanoate
PubChem CID568187
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 4-(oxan-2-yloxy)butanoate
SMILESCOC(=O)CCCOC1CCCCO1
InChIInChI=1S/C10H18O4/c1-12-9(11)5-4-8-14-10-6-2-3-7-13-10/h10H,2-8H2,1H3
InChIKeyGCDDWHAOKKZJLL-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxan-2-yloxy)butanoate?
The IUPAC name of methyl 4-(oxan-2-yloxy)butanoate (CID 568187) is methyl 4-(oxan-2-yloxy)butanoate.
What is the SMILES notation for methyl 4-(oxan-2-yloxy)butanoate?
The canonical SMILES for methyl 4-(oxan-2-yloxy)butanoate is COC(=O)CCCOC1CCCCO1.
What is the InChIKey of methyl 4-(oxan-2-yloxy)butanoate?
The InChIKey is GCDDWHAOKKZJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-12-9(11)5-4-8-14-10-6-2-3-7-13-10/h10H,2-8H2,1H3.
What are the key properties of methyl 4-(oxan-2-yloxy)butanoate?
methyl 4-(oxan-2-yloxy)butanoate has a molecular weight of 202.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxan-2-yloxy)butanoate is sourced from PubChem (CID 568187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).