2-methyl-3-propan-2-yl-5-propylfuran

C11H18O — CID 91311401

IUPAC2-methyl-3-propan-2-yl-5-propylfuran
SMILESCCCc1cc(C(C)C)c(C)o1
InChIInChI=1S/C11H18O/c1-5-6-10-7-11(8(2)3)9(4)12-10/h7-8H,5-6H2,1-4H3
InChIKeyLOJHNNFLOFBOJT-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.66
Rot. Bonds3

About 2-methyl-3-propan-2-yl-5-propylfuran

2-methyl-3-propan-2-yl-5-propylfuran (PubChem CID 91311401) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-5-propylfuran.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-5-propylfuran
PubChem CID91311401
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-methyl-3-propan-2-yl-5-propylfuran
SMILESCCCc1cc(C(C)C)c(C)o1
InChIInChI=1S/C11H18O/c1-5-6-10-7-11(8(2)3)9(4)12-10/h7-8H,5-6H2,1-4H3
InChIKeyLOJHNNFLOFBOJT-UHFFFAOYSA-N
XLogP3.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-5-propylfuran?
The IUPAC name of 2-methyl-3-propan-2-yl-5-propylfuran (CID 91311401) is 2-methyl-3-propan-2-yl-5-propylfuran.
What is the SMILES notation for 2-methyl-3-propan-2-yl-5-propylfuran?
The canonical SMILES for 2-methyl-3-propan-2-yl-5-propylfuran is CCCc1cc(C(C)C)c(C)o1.
What is the InChIKey of 2-methyl-3-propan-2-yl-5-propylfuran?
The InChIKey is LOJHNNFLOFBOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-6-10-7-11(8(2)3)9(4)12-10/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-3-propan-2-yl-5-propylfuran?
2-methyl-3-propan-2-yl-5-propylfuran has a molecular weight of 166.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-5-propylfuran is sourced from PubChem (CID 91311401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).