2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde

C9H12O2 — CID 10240983

IUPAC2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde
SMILESCC(C)=CC1CC(C=O)=CO1
InChIInChI=1S/C9H12O2/c1-7(2)3-9-4-8(5-10)6-11-9/h3,5-6,9H,4H2,1-2H3
InChIKeyCQRZHIDYIAKAAX-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds2

About 2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde

2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde (PubChem CID 10240983) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde
PubChem CID10240983
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde
SMILESCC(C)=CC1CC(C=O)=CO1
InChIInChI=1S/C9H12O2/c1-7(2)3-9-4-8(5-10)6-11-9/h3,5-6,9H,4H2,1-2H3
InChIKeyCQRZHIDYIAKAAX-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde?
The IUPAC name of 2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde (CID 10240983) is 2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde?
The canonical SMILES for 2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde is CC(C)=CC1CC(C=O)=CO1.
What is the InChIKey of 2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde?
The InChIKey is CQRZHIDYIAKAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(2)3-9-4-8(5-10)6-11-9/h3,5-6,9H,4H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde?
2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde has a molecular weight of 152.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-2,3-dihydrofuran-4-carbaldehyde is sourced from PubChem (CID 10240983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).