3-[(Z)-but-1-enyl]-2,5-dimethylfuran

C10H14O — CID 142881443

IUPAC3-[(Z)-but-1-enyl]-2,5-dimethylfuran
SMILESCC/C=C\c1cc(C)oc1C
InChIInChI=1S/C10H14O/c1-4-5-6-10-7-8(2)11-9(10)3/h5-7H,4H2,1-3H3/b6-5-
InChIKeyLQTUWDYTVNUHKZ-WAYWQWQTSA-N
MW150.22 g/mol
LogP3.32
Rot. Bonds2

About 3-[(Z)-but-1-enyl]-2,5-dimethylfuran

3-[(Z)-but-1-enyl]-2,5-dimethylfuran (PubChem CID 142881443) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-2,5-dimethylfuran.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-2,5-dimethylfuran
PubChem CID142881443
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-[(Z)-but-1-enyl]-2,5-dimethylfuran
SMILESCC/C=C\c1cc(C)oc1C
InChIInChI=1S/C10H14O/c1-4-5-6-10-7-8(2)11-9(10)3/h5-7H,4H2,1-3H3/b6-5-
InChIKeyLQTUWDYTVNUHKZ-WAYWQWQTSA-N
XLogP3.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-2,5-dimethylfuran?
The IUPAC name of 3-[(Z)-but-1-enyl]-2,5-dimethylfuran (CID 142881443) is 3-[(Z)-but-1-enyl]-2,5-dimethylfuran.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-2,5-dimethylfuran?
The canonical SMILES for 3-[(Z)-but-1-enyl]-2,5-dimethylfuran is CC/C=C\c1cc(C)oc1C.
What is the InChIKey of 3-[(Z)-but-1-enyl]-2,5-dimethylfuran?
The InChIKey is LQTUWDYTVNUHKZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H14O/c1-4-5-6-10-7-8(2)11-9(10)3/h5-7H,4H2,1-3H3/b6-5-.
What are the key properties of 3-[(Z)-but-1-enyl]-2,5-dimethylfuran?
3-[(Z)-but-1-enyl]-2,5-dimethylfuran has a molecular weight of 150.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-2,5-dimethylfuran is sourced from PubChem (CID 142881443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).