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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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).