2-tert-butyl-3-methoxy-5-propylfuran

C12H20O2 — CID 11052564

IUPAC2-tert-butyl-3-methoxy-5-propylfuran
SMILESCCCc1cc(OC)c(C(C)(C)C)o1
InChIInChI=1S/C12H20O2/c1-6-7-9-8-10(13-5)11(14-9)12(2,3)4/h8H,6-7H2,1-5H3
InChIKeyYDUAGAQXBOTXEU-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.54
Rot. Bonds3

About 2-tert-butyl-3-methoxy-5-propylfuran

2-tert-butyl-3-methoxy-5-propylfuran (PubChem CID 11052564) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-tert-butyl-3-methoxy-5-propylfuran.

Molecular Properties

Compound Name2-tert-butyl-3-methoxy-5-propylfuran
PubChem CID11052564
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-tert-butyl-3-methoxy-5-propylfuran
SMILESCCCc1cc(OC)c(C(C)(C)C)o1
InChIInChI=1S/C12H20O2/c1-6-7-9-8-10(13-5)11(14-9)12(2,3)4/h8H,6-7H2,1-5H3
InChIKeyYDUAGAQXBOTXEU-UHFFFAOYSA-N
XLogP3.54
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hexyl-4-methoxy-6-undecylpyran-2-one
CID 18997489
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-butyl-5,7-dimethoxy-1-benzofuran
CID 135058890
2-methyl-5-propylfuran-3-carbaldehyde
CID 150483674
2-methoxy-4-(2-methylpropyl)-1-propylbenzene
CID 90998331
3-(aminomethyl)-4,5-dimethoxy-2-propylaniline
CID 23346964
4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
CID 134479395
4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline
CID 83008446
6-methoxy-3-propylisochromen-1-one
CID 11229706
CID 134890786
CID 134890786
3,5-dimethoxy-2-propylaniline
CID 141261453
2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine
CID 112518955

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methoxy-5-propylfuran?
The IUPAC name of 2-tert-butyl-3-methoxy-5-propylfuran (CID 11052564) is 2-tert-butyl-3-methoxy-5-propylfuran.
What is the SMILES notation for 2-tert-butyl-3-methoxy-5-propylfuran?
The canonical SMILES for 2-tert-butyl-3-methoxy-5-propylfuran is CCCc1cc(OC)c(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-3-methoxy-5-propylfuran?
The InChIKey is YDUAGAQXBOTXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-6-7-9-8-10(13-5)11(14-9)12(2,3)4/h8H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-3-methoxy-5-propylfuran?
2-tert-butyl-3-methoxy-5-propylfuran has a molecular weight of 196.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methoxy-5-propylfuran is sourced from PubChem (CID 11052564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).