2-(2,2-dimethylpropyl)furan-3-carbaldehyde

C10H14O2 — CID 96633063

IUPAC2-(2,2-dimethylpropyl)furan-3-carbaldehyde
SMILESCC(C)(C)Cc1occc1C=O
InChIInChI=1S/C10H14O2/c1-10(2,3)6-9-8(7-11)4-5-12-9/h4-5,7H,6H2,1-3H3
InChIKeyPZFOHQQJXOCKAG-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.68
Rot. Bonds2

About 2-(2,2-dimethylpropyl)furan-3-carbaldehyde

2-(2,2-dimethylpropyl)furan-3-carbaldehyde (PubChem CID 96633063) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)furan-3-carbaldehyde
PubChem CID96633063
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-(2,2-dimethylpropyl)furan-3-carbaldehyde
SMILESCC(C)(C)Cc1occc1C=O
InChIInChI=1S/C10H14O2/c1-10(2,3)6-9-8(7-11)4-5-12-9/h4-5,7H,6H2,1-3H3
InChIKeyPZFOHQQJXOCKAG-UHFFFAOYSA-N
XLogP2.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.68
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-(2,2-dimethylpropyl)furan-3-carbaldehyde?
The IUPAC name of 2-(2,2-dimethylpropyl)furan-3-carbaldehyde (CID 96633063) is 2-(2,2-dimethylpropyl)furan-3-carbaldehyde.
What is the SMILES notation for 2-(2,2-dimethylpropyl)furan-3-carbaldehyde?
The canonical SMILES for 2-(2,2-dimethylpropyl)furan-3-carbaldehyde is CC(C)(C)Cc1occc1C=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)furan-3-carbaldehyde?
The InChIKey is PZFOHQQJXOCKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(2,3)6-9-8(7-11)4-5-12-9/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)furan-3-carbaldehyde?
2-(2,2-dimethylpropyl)furan-3-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)furan-3-carbaldehyde is sourced from PubChem (CID 96633063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).