5-(3-methylbutyl)furan-2-carbaldehyde

C10H14O2 — CID 82374143

IUPAC5-(3-methylbutyl)furan-2-carbaldehyde
SMILESCC(C)CCc1ccc(C=O)o1
InChIInChI=1S/C10H14O2/c1-8(2)3-4-9-5-6-10(7-11)12-9/h5-8H,3-4H2,1-2H3
InChIKeyWVKWXTBWYCOOLQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.68
Rot. Bonds4

About 5-(3-methylbutyl)furan-2-carbaldehyde

5-(3-methylbutyl)furan-2-carbaldehyde (PubChem CID 82374143) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-(3-methylbutyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-methylbutyl)furan-2-carbaldehyde
PubChem CID82374143
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-(3-methylbutyl)furan-2-carbaldehyde
SMILESCC(C)CCc1ccc(C=O)o1
InChIInChI=1S/C10H14O2/c1-8(2)3-4-9-5-6-10(7-11)12-9/h5-8H,3-4H2,1-2H3
InChIKeyWVKWXTBWYCOOLQ-UHFFFAOYSA-N
XLogP2.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 5-(3-methylbutyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-methylbutyl)furan-2-carbaldehyde (CID 82374143) is 5-(3-methylbutyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-methylbutyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-methylbutyl)furan-2-carbaldehyde is CC(C)CCc1ccc(C=O)o1.
What is the InChIKey of 5-(3-methylbutyl)furan-2-carbaldehyde?
The InChIKey is WVKWXTBWYCOOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(2)3-4-9-5-6-10(7-11)12-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-(3-methylbutyl)furan-2-carbaldehyde?
5-(3-methylbutyl)furan-2-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)furan-2-carbaldehyde is sourced from PubChem (CID 82374143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).