carbonic acid;bis(2-nonylphenol)

C31H50O5 — CID 69221300

IUPACcarbonic acid;bis(2-nonylphenol)
SMILESCCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.O=C(O)O
InChIInChI=1S/2C15H24O.CH2O3/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;2-1(3)4/h2*9-10,12-13,16H,2-8,11H2,1H3;(H2,2,3,4)
InChIKeyXZVHKKNHFJBCNU-UHFFFAOYSA-N
MW502.74 g/mol
LogP9.59
Rot. Bonds16

About carbonic acid;bis(2-nonylphenol)

carbonic acid;bis(2-nonylphenol) (PubChem CID 69221300) has the molecular formula C31H50O5 and a molecular weight of 502.74 g/mol. Its IUPAC name is carbonic acid;bis(2-nonylphenol).

Molecular Properties

Compound Namecarbonic acid;bis(2-nonylphenol)
PubChem CID69221300
Molecular FormulaC31H50O5
Molecular Weight502.74 g/mol
Exact Mass502.37
IUPAC Namecarbonic acid;bis(2-nonylphenol)
SMILESCCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.O=C(O)O
InChIInChI=1S/2C15H24O.CH2O3/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;2-1(3)4/h2*9-10,12-13,16H,2-8,11H2,1H3;(H2,2,3,4)
InChIKeyXZVHKKNHFJBCNU-UHFFFAOYSA-N
XLogP9.59
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.74
LogP ≤ 59.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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formaldehyde;2-octadecylphenol
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formaldehyde;2-nonylphenol;2-octylphenol
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carbonic acid;1,2-dioctylbenzene
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carbonic acid;1,2-dihexylbenzene
CID 174444225
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
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 carbonic acid;bis(2-nonylphenol)?
The IUPAC name of carbonic acid;bis(2-nonylphenol) (CID 69221300) is carbonic acid;bis(2-nonylphenol).
What is the SMILES notation for carbonic acid;bis(2-nonylphenol)?
The canonical SMILES for carbonic acid;bis(2-nonylphenol) is CCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.O=C(O)O.
What is the InChIKey of carbonic acid;bis(2-nonylphenol)?
The InChIKey is XZVHKKNHFJBCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24O.CH2O3/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;2-1(3)4/h2*9-10,12-13,16H,2-8,11H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;bis(2-nonylphenol)?
carbonic acid;bis(2-nonylphenol) has a molecular weight of 502.74 g/mol, XLogP of 9.59, 16 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;bis(2-nonylphenol) is sourced from PubChem (CID 69221300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).