2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde

C14H24O2 — CID 22572104

IUPAC2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde
SMILESCCCCC1=COC(C=O)(CCCC)CC1
InChIInChI=1S/C14H24O2/c1-3-5-7-13-8-10-14(12-15,16-11-13)9-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyTWEAKWNKZAGMDU-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds7

About 2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde

2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde (PubChem CID 22572104) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde.

Molecular Properties

Compound Name2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde
PubChem CID22572104
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde
SMILESCCCCC1=COC(C=O)(CCCC)CC1
InChIInChI=1S/C14H24O2/c1-3-5-7-13-8-10-14(12-15,16-11-13)9-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyTWEAKWNKZAGMDU-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
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 2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde?
The IUPAC name of 2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde (CID 22572104) is 2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde.
What is the SMILES notation for 2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde?
The canonical SMILES for 2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde is CCCCC1=COC(C=O)(CCCC)CC1.
What is the InChIKey of 2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde?
The InChIKey is TWEAKWNKZAGMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-7-13-8-10-14(12-15,16-11-13)9-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde?
2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde has a molecular weight of 224.34 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-3,4-dihydropyran-2-carbaldehyde is sourced from PubChem (CID 22572104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).