3-dodecylfuran-2-carbaldehyde

C17H28O2 — CID 54442257

IUPAC3-dodecylfuran-2-carbaldehyde
SMILESCCCCCCCCCCCCc1ccoc1C=O
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-19-17(16)15-18/h13-15H,2-12H2,1H3
InChIKeyWOYMFBHOARZKHM-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.56
Rot. Bonds12

About 3-dodecylfuran-2-carbaldehyde

3-dodecylfuran-2-carbaldehyde (PubChem CID 54442257) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-dodecylfuran-2-carbaldehyde.

Molecular Properties

Compound Name3-dodecylfuran-2-carbaldehyde
PubChem CID54442257
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name3-dodecylfuran-2-carbaldehyde
SMILESCCCCCCCCCCCCc1ccoc1C=O
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-19-17(16)15-18/h13-15H,2-12H2,1H3
InChIKeyWOYMFBHOARZKHM-UHFFFAOYSA-N
XLogP5.56
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethylfuran-2-carbaldehyde;hydrate
CID 87415934
3-heptylfuran-2-amine
CID 90951825
(3-heptylfuran-2-yl)phosphane
CID 21095511
2-methyl-3-pentylfuran
CID 12555082
(3-pentylfuran-2-yl)phosphane
CID 21095698
(3-heptylfuran-2-yl)methanol
CID 14791772
4-hexylfuran-3-carbaldehyde
CID 139709564
3-(3-nonylphenyl)furan-2-carbaldehyde
CID 151941952
ethyl 2-(3-nonylfuran-2-yl)acetate
CID 11482904
ethyl 2-(3-hexylfuran-2-yl)acetate
CID 11149114
CID 173140007
CID 173140007
3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493

Frequently Asked Questions

What is the IUPAC name of 3-dodecylfuran-2-carbaldehyde?
The IUPAC name of 3-dodecylfuran-2-carbaldehyde (CID 54442257) is 3-dodecylfuran-2-carbaldehyde.
What is the SMILES notation for 3-dodecylfuran-2-carbaldehyde?
The canonical SMILES for 3-dodecylfuran-2-carbaldehyde is CCCCCCCCCCCCc1ccoc1C=O.
What is the InChIKey of 3-dodecylfuran-2-carbaldehyde?
The InChIKey is WOYMFBHOARZKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-19-17(16)15-18/h13-15H,2-12H2,1H3.
What are the key properties of 3-dodecylfuran-2-carbaldehyde?
3-dodecylfuran-2-carbaldehyde has a molecular weight of 264.41 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecylfuran-2-carbaldehyde is sourced from PubChem (CID 54442257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).