2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran

C15H18O3 — CID 591897

IUPAC2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran
SMILESCc1coc(CC2(C)CCC(c3ccoc3)O2)c1
InChIInChI=1S/C15H18O3/c1-11-7-13(17-9-11)8-15(2)5-3-14(18-15)12-4-6-16-10-12/h4,6-7,9-10,14H,3,5,8H2,1-2H3
InChIKeyLMSPQIDVRZANSJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.03
Rot. Bonds3

About 2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran

2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran (PubChem CID 591897) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran.

Molecular Properties

Compound Name2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran
PubChem CID591897
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran
SMILESCc1coc(CC2(C)CCC(c3ccoc3)O2)c1
InChIInChI=1S/C15H18O3/c1-11-7-13(17-9-11)8-15(2)5-3-14(18-15)12-4-6-16-10-12/h4,6-7,9-10,14H,3,5,8H2,1-2H3
InChIKeyLMSPQIDVRZANSJ-UHFFFAOYSA-N
XLogP4.03
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran?
The IUPAC name of 2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran (CID 591897) is 2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran.
What is the SMILES notation for 2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran?
The canonical SMILES for 2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran is Cc1coc(CC2(C)CCC(c3ccoc3)O2)c1.
What is the InChIKey of 2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran?
The InChIKey is LMSPQIDVRZANSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11-7-13(17-9-11)8-15(2)5-3-14(18-15)12-4-6-16-10-12/h4,6-7,9-10,14H,3,5,8H2,1-2H3.
What are the key properties of 2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran?
2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran has a molecular weight of 246.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran is sourced from PubChem (CID 591897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).