ethene;2-nonylphenol

C23H40O — CID 66616289

IUPACethene;2-nonylphenol
SMILESC=C.C=C.C=C.C=C.CCCCCCCCCc1ccccc1O
InChIInChI=1S/C15H24O.4C2H4/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;4*1-2/h9-10,12-13,16H,2-8,11H2,1H3;4*1-2H2
InChIKeyVJGOZWTWFJRBIB-UHFFFAOYSA-N
MW332.57 g/mol
LogP7.89
Rot. Bonds8

About ethene;2-nonylphenol

ethene;2-nonylphenol (PubChem CID 66616289) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is ethene;2-nonylphenol.

Molecular Properties

Compound Nameethene;2-nonylphenol
PubChem CID66616289
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Nameethene;2-nonylphenol
SMILESC=C.C=C.C=C.C=C.CCCCCCCCCc1ccccc1O
InChIInChI=1S/C15H24O.4C2H4/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;4*1-2/h9-10,12-13,16H,2-8,11H2,1H3;4*1-2H2
InChIKeyVJGOZWTWFJRBIB-UHFFFAOYSA-N
XLogP7.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-dodecylphenol
CID 160834917
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
lithium;2-dodecylphenol;hydride
CID 174657819
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
tris(2-nonylphenol);phosphite
CID 21116114
carbonic acid;bis(2-nonylphenol)
CID 69221300
2-nonylphenol;pentan-1-ol
CID 70367302

Frequently Asked Questions

What is the IUPAC name of ethene;2-nonylphenol?
The IUPAC name of ethene;2-nonylphenol (CID 66616289) is ethene;2-nonylphenol.
What is the SMILES notation for ethene;2-nonylphenol?
The canonical SMILES for ethene;2-nonylphenol is C=C.C=C.C=C.C=C.CCCCCCCCCc1ccccc1O.
What is the InChIKey of ethene;2-nonylphenol?
The InChIKey is VJGOZWTWFJRBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.4C2H4/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;4*1-2/h9-10,12-13,16H,2-8,11H2,1H3;4*1-2H2.
What are the key properties of ethene;2-nonylphenol?
ethene;2-nonylphenol has a molecular weight of 332.57 g/mol, XLogP of 7.89, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-nonylphenol is sourced from PubChem (CID 66616289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).