2-nonylphenol;oxaldehyde

C17H26O3 — CID 18943315

IUPAC2-nonylphenol;oxaldehyde
SMILESCCCCCCCCCc1ccccc1O.O=CC=O
InChIInChI=1S/C15H24O.C2H2O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;3-1-2-4/h9-10,12-13,16H,2-8,11H2,1H3;1-2H
InChIKeyVZIAKZLSAZKOAK-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.07
Rot. Bonds9

About 2-nonylphenol;oxaldehyde

2-nonylphenol;oxaldehyde (PubChem CID 18943315) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-nonylphenol;oxaldehyde.

Molecular Properties

Compound Name2-nonylphenol;oxaldehyde
PubChem CID18943315
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-nonylphenol;oxaldehyde
SMILESCCCCCCCCCc1ccccc1O.O=CC=O
InChIInChI=1S/C15H24O.C2H2O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;3-1-2-4/h9-10,12-13,16H,2-8,11H2,1H3;1-2H
InChIKeyVZIAKZLSAZKOAK-UHFFFAOYSA-N
XLogP4.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formic acid;2-hexylphenol
CID 174867354
2-dodecylphenol
CID 160834917
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
2-octylphenol;tungsten
CID 157237523
CID 158595082
CID 158595082
CID 69025009
CID 69025009
carbonic acid;bis(2-nonylphenol)
CID 69221300
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030

Frequently Asked Questions

What is the IUPAC name of 2-nonylphenol;oxaldehyde?
The IUPAC name of 2-nonylphenol;oxaldehyde (CID 18943315) is 2-nonylphenol;oxaldehyde.
What is the SMILES notation for 2-nonylphenol;oxaldehyde?
The canonical SMILES for 2-nonylphenol;oxaldehyde is CCCCCCCCCc1ccccc1O.O=CC=O.
What is the InChIKey of 2-nonylphenol;oxaldehyde?
The InChIKey is VZIAKZLSAZKOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C2H2O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;3-1-2-4/h9-10,12-13,16H,2-8,11H2,1H3;1-2H.
What are the key properties of 2-nonylphenol;oxaldehyde?
2-nonylphenol;oxaldehyde has a molecular weight of 278.39 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylphenol;oxaldehyde is sourced from PubChem (CID 18943315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).