2,4-bis(2-methylpropyl)furan

C12H20O — CID 176775112

IUPAC2,4-bis(2-methylpropyl)furan
SMILESCC(C)Cc1coc(CC(C)C)c1
InChIInChI=1S/C12H20O/c1-9(2)5-11-7-12(13-8-11)6-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyDQFFVSBNICDHLI-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.68
Rot. Bonds4

About 2,4-bis(2-methylpropyl)furan

2,4-bis(2-methylpropyl)furan (PubChem CID 176775112) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,4-bis(2-methylpropyl)furan.

Molecular Properties

Compound Name2,4-bis(2-methylpropyl)furan
PubChem CID176775112
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,4-bis(2-methylpropyl)furan
SMILESCC(C)Cc1coc(CC(C)C)c1
InChIInChI=1S/C12H20O/c1-9(2)5-11-7-12(13-8-11)6-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyDQFFVSBNICDHLI-UHFFFAOYSA-N
XLogP3.68
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-[5-(2-methylpropyl)furan-3-yl]butan-2-one
CID 176775019
4-(2-methylpropyl)-2-propan-2-ylfuran
CID 59379559
5-(2-methylpropyl)furan-3-carboxylic acid
CID 127020960
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422969
2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan
CID 154991473
[5-(3-methylbutoxymethyl)furan-3-yl]methanamine
CID 62444987
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 62420162
2,2-bis(hydroxymethyl)-1,1-bis[2-methyl-4,6-bis(2-methylpropyl)phenyl]propane-1,3-diol
CID 140780110
2-methyl-4-(2-methylpropyl)furan-3-ol
CID 91409821
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62419547
2,2-bis(hydroxymethyl)-1,1-bis[2,4,6-tris(2-methylpropyl)phenyl]propane-1,3-diol
CID 140780109

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-methylpropyl)furan?
The IUPAC name of 2,4-bis(2-methylpropyl)furan (CID 176775112) is 2,4-bis(2-methylpropyl)furan.
What is the SMILES notation for 2,4-bis(2-methylpropyl)furan?
The canonical SMILES for 2,4-bis(2-methylpropyl)furan is CC(C)Cc1coc(CC(C)C)c1.
What is the InChIKey of 2,4-bis(2-methylpropyl)furan?
The InChIKey is DQFFVSBNICDHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9(2)5-11-7-12(13-8-11)6-10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,4-bis(2-methylpropyl)furan?
2,4-bis(2-methylpropyl)furan has a molecular weight of 180.29 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-methylpropyl)furan is sourced from PubChem (CID 176775112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).