2-methylprop-2-enoic acid;2-nonylphenol

C19H30O3 — CID 66599734

IUPAC2-methylprop-2-enoic acid;2-nonylphenol
SMILESC=C(C)C(=O)O.CCCCCCCCCc1ccccc1O
InChIInChI=1S/C15H24O.C4H6O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-3(2)4(5)6/h9-10,12-13,16H,2-8,11H2,1H3;1H2,2H3,(H,5,6)
InChIKeyZWBCPGAKJYVUHM-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.33
Rot. Bonds9

About 2-methylprop-2-enoic acid;2-nonylphenol

2-methylprop-2-enoic acid;2-nonylphenol (PubChem CID 66599734) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;2-nonylphenol.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;2-nonylphenol
PubChem CID66599734
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name2-methylprop-2-enoic acid;2-nonylphenol
SMILESC=C(C)C(=O)O.CCCCCCCCCc1ccccc1O
InChIInChI=1S/C15H24O.C4H6O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-3(2)4(5)6/h9-10,12-13,16H,2-8,11H2,1H3;1H2,2H3,(H,5,6)
InChIKeyZWBCPGAKJYVUHM-UHFFFAOYSA-N
XLogP5.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;bis(2-nonylphenol)
CID 69221300
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
ethene;2-nonylphenol
CID 66616289
2-dodecylphenol
CID 160834917
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
CID 158595082
CID 158595082
lithium;2-dodecylphenol;hydride
CID 174657819
2-decylphenol;hydrazine
CID 159983030
disodium;hydride;2-nonylphenol
CID 175531956
2-dodecylphenol;phosphoric acid
CID 67396083

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;2-nonylphenol?
The IUPAC name of 2-methylprop-2-enoic acid;2-nonylphenol (CID 66599734) is 2-methylprop-2-enoic acid;2-nonylphenol.
What is the SMILES notation for 2-methylprop-2-enoic acid;2-nonylphenol?
The canonical SMILES for 2-methylprop-2-enoic acid;2-nonylphenol is C=C(C)C(=O)O.CCCCCCCCCc1ccccc1O.
What is the InChIKey of 2-methylprop-2-enoic acid;2-nonylphenol?
The InChIKey is ZWBCPGAKJYVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C4H6O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-3(2)4(5)6/h9-10,12-13,16H,2-8,11H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;2-nonylphenol?
2-methylprop-2-enoic acid;2-nonylphenol has a molecular weight of 306.45 g/mol, XLogP of 5.33, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;2-nonylphenol is sourced from PubChem (CID 66599734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).