5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran

C9H12O — CID 89192695

IUPAC5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran
SMILESC=C/C=C\C1=C(C)CCO1
InChIInChI=1S/C9H12O/c1-3-4-5-9-8(2)6-7-10-9/h3-5H,1,6-7H2,2H3/b5-4-
InChIKeyGACQPRLWDGWAIG-PLNGDYQASA-N
MW136.19 g/mol
LogP2.42
Rot. Bonds2

About 5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran

5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran (PubChem CID 89192695) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran
PubChem CID89192695
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran
SMILESC=C/C=C\C1=C(C)CCO1
InChIInChI=1S/C9H12O/c1-3-4-5-9-8(2)6-7-10-9/h3-5H,1,6-7H2,2H3/b5-4-
InChIKeyGACQPRLWDGWAIG-PLNGDYQASA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran (CID 89192695) is 5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran is C=C/C=C\C1=C(C)CCO1.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran?
The InChIKey is GACQPRLWDGWAIG-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12O/c1-3-4-5-9-8(2)6-7-10-9/h3-5H,1,6-7H2,2H3/b5-4-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran?
5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran has a molecular weight of 136.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran is sourced from PubChem (CID 89192695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).