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

C9H12O2 — CID 82375522

IUPAC4-(2-methylpropyl)furan-3-carbaldehyde
SMILESCC(C)Cc1cocc1C=O
InChIInChI=1S/C9H12O2/c1-7(2)3-8-5-11-6-9(8)4-10/h4-7H,3H2,1-2H3
InChIKeyLMQUFMQSKXFLAB-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.29
Rot. Bonds3

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

4-(2-methylpropyl)furan-3-carbaldehyde (PubChem CID 82375522) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-(2-methylpropyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylpropyl)furan-3-carbaldehyde
PubChem CID82375522
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-(2-methylpropyl)furan-3-carbaldehyde
SMILESCC(C)Cc1cocc1C=O
InChIInChI=1S/C9H12O2/c1-7(2)3-8-5-11-6-9(8)4-10/h4-7H,3H2,1-2H3
InChIKeyLMQUFMQSKXFLAB-UHFFFAOYSA-N
XLogP2.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
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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Related Compounds

4-hexylfuran-3-carbaldehyde
CID 139709564
1,5-dimethyl-3-(2-methylpropyl)pyrrole-2-carbaldehyde
CID 84657111
3-(2-methylpropyl)-2-pentoxybenzaldehyde
CID 174897838
5-(2-methylpropyl)pyrimidine-2-carbaldehyde
CID 163243316
3-chloro-4-(2-methylpropyl)benzaldehyde
CID 86715140
5-methyl-2-(2-methylpropyl)pyridine-3-carbaldehyde
CID 83914847
1-tert-butyl-3-[4-(2-methylpropyl)phenyl]pyrazole-4-carbaldehyde
CID 43324213
4-(2-trimethylsilylethynyl)furan-3-carbaldehyde
CID 12866672
4-(2-methylpropyl)-1,3-oxazole-5-carbaldehyde
CID 83815385
1-(2-methylpropyl)-3-oxo-2,1-benzoxazole-4-carbaldehyde
CID 105473783
9-(2-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carbaldehyde
CID 117344751
2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde
CID 105469976

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)furan-3-carbaldehyde?
The IUPAC name of 4-(2-methylpropyl)furan-3-carbaldehyde (CID 82375522) is 4-(2-methylpropyl)furan-3-carbaldehyde.
What is the SMILES notation for 4-(2-methylpropyl)furan-3-carbaldehyde?
The canonical SMILES for 4-(2-methylpropyl)furan-3-carbaldehyde is CC(C)Cc1cocc1C=O.
What is the InChIKey of 4-(2-methylpropyl)furan-3-carbaldehyde?
The InChIKey is LMQUFMQSKXFLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(2)3-8-5-11-6-9(8)4-10/h4-7H,3H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)furan-3-carbaldehyde?
4-(2-methylpropyl)furan-3-carbaldehyde has a molecular weight of 152.19 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 4-(2-methylpropyl)furan-3-carbaldehyde is sourced from PubChem (CID 82375522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).