2-(furan-2-yl)tridecanal

C17H28O2 — CID 175449616

IUPAC2-(furan-2-yl)tridecanal
SMILESCCCCCCCCCCCC(C=O)c1ccco1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-12-16(15-18)17-13-11-14-19-17/h11,13-16H,2-10,12H2,1H3
InChIKeyYZOXFHHNUOTNET-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.48
Rot. Bonds12

About 2-(furan-2-yl)tridecanal

2-(furan-2-yl)tridecanal (PubChem CID 175449616) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(furan-2-yl)tridecanal.

Molecular Properties

Compound Name2-(furan-2-yl)tridecanal
PubChem CID175449616
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-(furan-2-yl)tridecanal
SMILESCCCCCCCCCCCC(C=O)c1ccco1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-12-16(15-18)17-13-11-14-19-17/h11,13-16H,2-10,12H2,1H3
InChIKeyYZOXFHHNUOTNET-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
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

1-(furan-2-yl)decan-1-ol
CID 11085452
2-nonan-2-ylfuran
CID 160791396
(E)-4-(furan-2-yl)non-2-enenitrile
CID 10375618
1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
1-(furan-2-yl)-2-methyloctan-1-ol
CID 44721006
2-(furan-2-yl)pent-4-enal
CID 10558783
2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan
CID 122375580
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[1-(furan-2-yl)pentyl]-N-trimethylsilyloctan-1-amine
CID 10404831
N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine
CID 81403415

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)tridecanal?
The IUPAC name of 2-(furan-2-yl)tridecanal (CID 175449616) is 2-(furan-2-yl)tridecanal.
What is the SMILES notation for 2-(furan-2-yl)tridecanal?
The canonical SMILES for 2-(furan-2-yl)tridecanal is CCCCCCCCCCCC(C=O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)tridecanal?
The InChIKey is YZOXFHHNUOTNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-12-16(15-18)17-13-11-14-19-17/h11,13-16H,2-10,12H2,1H3.
What are the key properties of 2-(furan-2-yl)tridecanal?
2-(furan-2-yl)tridecanal has a molecular weight of 264.41 g/mol, XLogP of 5.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)tridecanal is sourced from PubChem (CID 175449616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).