2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran

C13H20O — CID 123872890

IUPAC2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran
SMILESCC=CC1=C(C)C(C)C(C=CCC)O1
InChIInChI=1S/C13H20O/c1-5-7-9-13-11(4)10(3)12(14-13)8-6-2/h6-9,11,13H,5H2,1-4H3
InChIKeyMSZQACJMOUIDOU-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.84
Rot. Bonds3

About 2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran

2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran (PubChem CID 123872890) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran.

Molecular Properties

Compound Name2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran
PubChem CID123872890
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran
SMILESCC=CC1=C(C)C(C)C(C=CCC)O1
InChIInChI=1S/C13H20O/c1-5-7-9-13-11(4)10(3)12(14-13)8-6-2/h6-9,11,13H,5H2,1-4H3
InChIKeyMSZQACJMOUIDOU-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran?
The IUPAC name of 2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran (CID 123872890) is 2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran.
What is the SMILES notation for 2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran?
The canonical SMILES for 2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran is CC=CC1=C(C)C(C)C(C=CCC)O1.
What is the InChIKey of 2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran?
The InChIKey is MSZQACJMOUIDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-7-9-13-11(4)10(3)12(14-13)8-6-2/h6-9,11,13H,5H2,1-4H3.
What are the key properties of 2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran?
2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran has a molecular weight of 192.30 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran is sourced from PubChem (CID 123872890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).