5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde

C10H14O2 — CID 130025735

IUPAC5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde
SMILESC=C(C)CC1CC(C=O)=C(C)O1
InChIInChI=1S/C10H14O2/c1-7(2)4-10-5-9(6-11)8(3)12-10/h6,10H,1,4-5H2,2-3H3
InChIKeySCPQQUYDLQBHNQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds3

About 5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde

5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde (PubChem CID 130025735) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde
PubChem CID130025735
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde
SMILESC=C(C)CC1CC(C=O)=C(C)O1
InChIInChI=1S/C10H14O2/c1-7(2)4-10-5-9(6-11)8(3)12-10/h6,10H,1,4-5H2,2-3H3
InChIKeySCPQQUYDLQBHNQ-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
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'}

Analyze 5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde?
The IUPAC name of 5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde (CID 130025735) is 5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde.
What is the SMILES notation for 5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde?
The canonical SMILES for 5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde is C=C(C)CC1CC(C=O)=C(C)O1.
What is the InChIKey of 5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde?
The InChIKey is SCPQQUYDLQBHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)4-10-5-9(6-11)8(3)12-10/h6,10H,1,4-5H2,2-3H3.
What are the key properties of 5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde?
5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde is sourced from PubChem (CID 130025735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).