2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde

C10H16O2 — CID 163192480

IUPAC2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde
SMILESCC(C)CC1=COC(C)(C=O)C1
InChIInChI=1S/C10H16O2/c1-8(2)4-9-5-10(3,7-11)12-6-9/h6-8H,4-5H2,1-3H3
InChIKeyYBEBKKDVIUAGSL-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds3

About 2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde

2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde (PubChem CID 163192480) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde
PubChem CID163192480
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde
SMILESCC(C)CC1=COC(C)(C=O)C1
InChIInChI=1S/C10H16O2/c1-8(2)4-9-5-10(3,7-11)12-6-9/h6-8H,4-5H2,1-3H3
InChIKeyYBEBKKDVIUAGSL-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde?
The IUPAC name of 2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde (CID 163192480) is 2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde.
What is the SMILES notation for 2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde?
The canonical SMILES for 2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde is CC(C)CC1=COC(C)(C=O)C1.
What is the InChIKey of 2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde?
The InChIKey is YBEBKKDVIUAGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)4-9-5-10(3,7-11)12-6-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde?
2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde is sourced from PubChem (CID 163192480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).