bis(2-nonylphenyl) hydrogen phosphite

C30H47O3P — CID 14876803

IUPACbis(2-nonylphenyl) hydrogen phosphite
SMILESCCCCCCCCCc1ccccc1OP(O)Oc1ccccc1CCCCCCCCC
InChIInChI=1S/C30H47O3P/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)32-34(31)33-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2/h17-20,23-26,31H,3-16,21-22H2,1-2H3
InChIKeyZKTGWOXVQUNCLN-UHFFFAOYSA-N
MW486.68 g/mol
LogP9.95
Rot. Bonds20

About bis(2-nonylphenyl) hydrogen phosphite

bis(2-nonylphenyl) hydrogen phosphite (PubChem CID 14876803) has the molecular formula C30H47O3P and a molecular weight of 486.68 g/mol. Its IUPAC name is bis(2-nonylphenyl) hydrogen phosphite.

Molecular Properties

Compound Namebis(2-nonylphenyl) hydrogen phosphite
PubChem CID14876803
Molecular FormulaC30H47O3P
Molecular Weight486.68 g/mol
Exact Mass486.33
IUPAC Namebis(2-nonylphenyl) hydrogen phosphite
SMILESCCCCCCCCCc1ccccc1OP(O)Oc1ccccc1CCCCCCCCC
InChIInChI=1S/C30H47O3P/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)32-34(31)33-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2/h17-20,23-26,31H,3-16,21-22H2,1-2H3
InChIKeyZKTGWOXVQUNCLN-UHFFFAOYSA-N
XLogP9.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.68
LogP ≤ 59.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite
CID 154111856
diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
CID 88805641
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
bis(2-decylphenyl) phenyl phosphite
CID 67947899
dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite
CID 158541256
1-methoxy-2-tetradecylbenzene
CID 69169530
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-decyl-2-ethoxybenzene
CID 175243335
1-heptyl-2-octadecoxybenzene
CID 139667653
(2-octylphenoxy)phosphane
CID 163637323
(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite
CID 69425077

Frequently Asked Questions

What is the IUPAC name of bis(2-nonylphenyl) hydrogen phosphite?
The IUPAC name of bis(2-nonylphenyl) hydrogen phosphite (CID 14876803) is bis(2-nonylphenyl) hydrogen phosphite.
What is the SMILES notation for bis(2-nonylphenyl) hydrogen phosphite?
The canonical SMILES for bis(2-nonylphenyl) hydrogen phosphite is CCCCCCCCCc1ccccc1OP(O)Oc1ccccc1CCCCCCCCC.
What is the InChIKey of bis(2-nonylphenyl) hydrogen phosphite?
The InChIKey is ZKTGWOXVQUNCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47O3P/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)32-34(31)33-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2/h17-20,23-26,31H,3-16,21-22H2,1-2H3.
What are the key properties of bis(2-nonylphenyl) hydrogen phosphite?
bis(2-nonylphenyl) hydrogen phosphite has a molecular weight of 486.68 g/mol, XLogP of 9.95, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-nonylphenyl) hydrogen phosphite is sourced from PubChem (CID 14876803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).