2,5-bis(butan-2-yloxymethyl)furan

C14H24O3 — CID 118563777

IUPAC2,5-bis(butan-2-yloxymethyl)furan
SMILESCCC(C)OCc1ccc(COC(C)CC)o1
InChIInChI=1S/C14H24O3/c1-5-11(3)15-9-13-7-8-14(17-13)10-16-12(4)6-2/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyNKSAMUCBLYIRHE-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.91
Rot. Bonds8

About 2,5-bis(butan-2-yloxymethyl)furan

2,5-bis(butan-2-yloxymethyl)furan (PubChem CID 118563777) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2,5-bis(butan-2-yloxymethyl)furan.

Molecular Properties

Compound Name2,5-bis(butan-2-yloxymethyl)furan
PubChem CID118563777
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2,5-bis(butan-2-yloxymethyl)furan
SMILESCCC(C)OCc1ccc(COC(C)CC)o1
InChIInChI=1S/C14H24O3/c1-5-11(3)15-9-13-7-8-14(17-13)10-16-12(4)6-2/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyNKSAMUCBLYIRHE-UHFFFAOYSA-N
XLogP3.91
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(butan-2-yloxymethyl)furan?
The IUPAC name of 2,5-bis(butan-2-yloxymethyl)furan (CID 118563777) is 2,5-bis(butan-2-yloxymethyl)furan.
What is the SMILES notation for 2,5-bis(butan-2-yloxymethyl)furan?
The canonical SMILES for 2,5-bis(butan-2-yloxymethyl)furan is CCC(C)OCc1ccc(COC(C)CC)o1.
What is the InChIKey of 2,5-bis(butan-2-yloxymethyl)furan?
The InChIKey is NKSAMUCBLYIRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-11(3)15-9-13-7-8-14(17-13)10-16-12(4)6-2/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 2,5-bis(butan-2-yloxymethyl)furan?
2,5-bis(butan-2-yloxymethyl)furan has a molecular weight of 240.34 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(butan-2-yloxymethyl)furan is sourced from PubChem (CID 118563777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).