benzyl dodecyl hydrogen phosphite

C19H33O3P — CID 161198417

IUPACbenzyl dodecyl hydrogen phosphite
SMILESCCCCCCCCCCCCOP(O)OCc1ccccc1
InChIInChI=1S/C19H33O3P/c1-2-3-4-5-6-7-8-9-10-14-17-21-23(20)22-18-19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3
InChIKeyJJXVIMZHNSINHY-UHFFFAOYSA-N
MW340.44 g/mol
LogP6.36
Rot. Bonds15

About benzyl dodecyl hydrogen phosphite

benzyl dodecyl hydrogen phosphite (PubChem CID 161198417) has the molecular formula C19H33O3P and a molecular weight of 340.44 g/mol. Its IUPAC name is benzyl dodecyl hydrogen phosphite.

Molecular Properties

Compound Namebenzyl dodecyl hydrogen phosphite
PubChem CID161198417
Molecular FormulaC19H33O3P
Molecular Weight340.44 g/mol
Exact Mass340.22
IUPAC Namebenzyl dodecyl hydrogen phosphite
SMILESCCCCCCCCCCCCOP(O)OCc1ccccc1
InChIInChI=1S/C19H33O3P/c1-2-3-4-5-6-7-8-9-10-14-17-21-23(20)22-18-19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3
InChIKeyJJXVIMZHNSINHY-UHFFFAOYSA-N
XLogP6.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.44
LogP ≤ 56.36
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

benzyl hexyl hydrogen phosphite
CID 174676176
1,1'-biphenyl;ethyl hexyl hydrogen phosphite
CID 67071902
didecyl hydrogen phosphite
CID 14151265
benzyl chloromethyl heptyl phosphite
CID 170723146
heptoxy(phenyl)phosphinous acid
CID 12959801
propyl tetradecyl hydrogen phosphite
CID 121403997
dodecylperoxymethylbenzene
CID 88509810
azane;hexoxymethylbenzene
CID 174805489
dibutyl hydrogen phosphite;phenylmethanamine;propan-2-one
CID 68898928
dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)
CID 87482236
2-[(4-hexadecoxy-3-phenylmethoxybutoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium
CID 19866536
2-hexadecoxyethoxymethylbenzene
CID 19965709

Frequently Asked Questions

What is the IUPAC name of benzyl dodecyl hydrogen phosphite?
The IUPAC name of benzyl dodecyl hydrogen phosphite (CID 161198417) is benzyl dodecyl hydrogen phosphite.
What is the SMILES notation for benzyl dodecyl hydrogen phosphite?
The canonical SMILES for benzyl dodecyl hydrogen phosphite is CCCCCCCCCCCCOP(O)OCc1ccccc1.
What is the InChIKey of benzyl dodecyl hydrogen phosphite?
The InChIKey is JJXVIMZHNSINHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O3P/c1-2-3-4-5-6-7-8-9-10-14-17-21-23(20)22-18-19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3.
What are the key properties of benzyl dodecyl hydrogen phosphite?
benzyl dodecyl hydrogen phosphite has a molecular weight of 340.44 g/mol, XLogP of 6.36, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl dodecyl hydrogen phosphite is sourced from PubChem (CID 161198417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).