2-[methoxy(propoxy)methyl]-4-methylfuran

C10H16O3 — CID 121368847

IUPAC2-[methoxy(propoxy)methyl]-4-methylfuran
SMILESCCCOC(OC)c1cc(C)co1
InChIInChI=1S/C10H16O3/c1-4-5-12-10(11-3)9-6-8(2)7-13-9/h6-7,10H,4-5H2,1-3H3
InChIKeyRKIWTOYJBOMXNZ-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.66
Rot. Bonds5

About 2-[methoxy(propoxy)methyl]-4-methylfuran

2-[methoxy(propoxy)methyl]-4-methylfuran (PubChem CID 121368847) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-[methoxy(propoxy)methyl]-4-methylfuran.

Molecular Properties

Compound Name2-[methoxy(propoxy)methyl]-4-methylfuran
PubChem CID121368847
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-[methoxy(propoxy)methyl]-4-methylfuran
SMILESCCCOC(OC)c1cc(C)co1
InChIInChI=1S/C10H16O3/c1-4-5-12-10(11-3)9-6-8(2)7-13-9/h6-7,10H,4-5H2,1-3H3
InChIKeyRKIWTOYJBOMXNZ-UHFFFAOYSA-N
XLogP2.66
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[methoxy(propoxy)methyl]-4-methylfuran?
The IUPAC name of 2-[methoxy(propoxy)methyl]-4-methylfuran (CID 121368847) is 2-[methoxy(propoxy)methyl]-4-methylfuran.
What is the SMILES notation for 2-[methoxy(propoxy)methyl]-4-methylfuran?
The canonical SMILES for 2-[methoxy(propoxy)methyl]-4-methylfuran is CCCOC(OC)c1cc(C)co1.
What is the InChIKey of 2-[methoxy(propoxy)methyl]-4-methylfuran?
The InChIKey is RKIWTOYJBOMXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-5-12-10(11-3)9-6-8(2)7-13-9/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 2-[methoxy(propoxy)methyl]-4-methylfuran?
2-[methoxy(propoxy)methyl]-4-methylfuran has a molecular weight of 184.23 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(propoxy)methyl]-4-methylfuran is sourced from PubChem (CID 121368847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).