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

C9H14O — CID 15892524

IUPAC2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(C)C(C)OC1
InChIInChI=1S/C9H14O/c1-4-5-9-6-10-8(3)7(9)2/h4,8H,1,5-6H2,2-3H3
InChIKeyVBXBQSLYNQUJNN-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds2

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

2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran (PubChem CID 15892524) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran
PubChem CID15892524
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(C)C(C)OC1
InChIInChI=1S/C9H14O/c1-4-5-9-6-10-8(3)7(9)2/h4,8H,1,5-6H2,2-3H3
InChIKeyVBXBQSLYNQUJNN-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.30
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 2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran?
The IUPAC name of 2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran (CID 15892524) is 2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran.
What is the SMILES notation for 2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran?
The canonical SMILES for 2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran is C=CCC1=C(C)C(C)OC1.
What is the InChIKey of 2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran?
The InChIKey is VBXBQSLYNQUJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-4-5-9-6-10-8(3)7(9)2/h4,8H,1,5-6H2,2-3H3.
What are the key properties of 2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran?
2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran has a molecular weight of 138.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran is sourced from PubChem (CID 15892524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).