4-(2-methylpropyl)-2-propan-2-ylfuran

C11H18O — CID 59379559

IUPAC4-(2-methylpropyl)-2-propan-2-ylfuran
SMILESCC(C)Cc1coc(C(C)C)c1
InChIInChI=1S/C11H18O/c1-8(2)5-10-6-11(9(3)4)12-7-10/h6-9H,5H2,1-4H3
InChIKeyIMCOJEFHALEVQR-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.60
Rot. Bonds3

About 4-(2-methylpropyl)-2-propan-2-ylfuran

4-(2-methylpropyl)-2-propan-2-ylfuran (PubChem CID 59379559) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-propan-2-ylfuran.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-propan-2-ylfuran
PubChem CID59379559
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-(2-methylpropyl)-2-propan-2-ylfuran
SMILESCC(C)Cc1coc(C(C)C)c1
InChIInChI=1S/C11H18O/c1-8(2)5-10-6-11(9(3)4)12-7-10/h6-9H,5H2,1-4H3
InChIKeyIMCOJEFHALEVQR-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-bis(2-methylpropyl)furan
CID 176775112
3-methyl-1-[5-(2-methylpropyl)furan-3-yl]butan-2-one
CID 176775019
4-ethyl-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan
CID 58736666
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
ethane;1,2,3-trifluoro-5-(2-methylpropyl)benzene
CID 145128003
4-ethyl-2-methylfuran;2-methylpropane
CID 142810097
3-(3-methylbutyl)-5-(2-methylpropyl)-1-benzofuran
CID 176774922
6-(2-methylpropyl)-1,4-benzodioxine
CID 57144989
1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
CID 155459307
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
ethane;2-methylpropylbenzene
CID 162200929
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-propan-2-ylfuran?
The IUPAC name of 4-(2-methylpropyl)-2-propan-2-ylfuran (CID 59379559) is 4-(2-methylpropyl)-2-propan-2-ylfuran.
What is the SMILES notation for 4-(2-methylpropyl)-2-propan-2-ylfuran?
The canonical SMILES for 4-(2-methylpropyl)-2-propan-2-ylfuran is CC(C)Cc1coc(C(C)C)c1.
What is the InChIKey of 4-(2-methylpropyl)-2-propan-2-ylfuran?
The InChIKey is IMCOJEFHALEVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)5-10-6-11(9(3)4)12-7-10/h6-9H,5H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-2-propan-2-ylfuran?
4-(2-methylpropyl)-2-propan-2-ylfuran has a molecular weight of 166.26 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-propan-2-ylfuran is sourced from PubChem (CID 59379559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).