dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite

C15H26O5P2 — CID 154111856

IUPACdihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite
SMILESCCCCCCCCCc1ccccc1OP(O)OP(O)O
InChIInChI=1S/C15H26O5P2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-22(18)20-21(16)17/h9-10,12-13,16-18H,2-8,11H2,1H3
InChIKeyNGNXRHRXFGYUMW-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.81
Rot. Bonds12

About dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite

dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite (PubChem CID 154111856) has the molecular formula C15H26O5P2 and a molecular weight of 348.32 g/mol. Its IUPAC name is dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite.

Molecular Properties

Compound Namedihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite
PubChem CID154111856
Molecular FormulaC15H26O5P2
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Namedihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite
SMILESCCCCCCCCCc1ccccc1OP(O)OP(O)O
InChIInChI=1S/C15H26O5P2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-22(18)20-21(16)17/h9-10,12-13,16-18H,2-8,11H2,1H3
InChIKeyNGNXRHRXFGYUMW-UHFFFAOYSA-N
XLogP4.81
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

bis(2-nonylphenyl) hydrogen phosphite
CID 14876803
diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
CID 88805641
dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite
CID 158541256
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
(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite
CID 69425077
1-methoxy-2-tetradecylbenzene
CID 69169530
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite
CID 160501939
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-decyl-2-ethoxybenzene
CID 175243335
1-heptyl-2-octadecoxybenzene
CID 139667653

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite?
The IUPAC name of dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite (CID 154111856) is dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite.
What is the SMILES notation for dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite?
The canonical SMILES for dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite is CCCCCCCCCc1ccccc1OP(O)OP(O)O.
What is the InChIKey of dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite?
The InChIKey is NGNXRHRXFGYUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5P2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-22(18)20-21(16)17/h9-10,12-13,16-18H,2-8,11H2,1H3.
What are the key properties of dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite?
dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite has a molecular weight of 348.32 g/mol, XLogP of 4.81, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite is sourced from PubChem (CID 154111856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).