benzyl hexyl hydrogen phosphite

C13H21O3P — CID 174676176

IUPACbenzyl hexyl hydrogen phosphite
SMILESCCCCCCOP(O)OCc1ccccc1
InChIInChI=1S/C13H21O3P/c1-2-3-4-8-11-15-17(14)16-12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3
InChIKeyYHRQMYUDSVTGMJ-UHFFFAOYSA-N
MW256.28 g/mol
LogP4.02
Rot. Bonds9

About benzyl hexyl hydrogen phosphite

benzyl hexyl hydrogen phosphite (PubChem CID 174676176) has the molecular formula C13H21O3P and a molecular weight of 256.28 g/mol. Its IUPAC name is benzyl hexyl hydrogen phosphite.

Molecular Properties

Compound Namebenzyl hexyl hydrogen phosphite
PubChem CID174676176
Molecular FormulaC13H21O3P
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Namebenzyl hexyl hydrogen phosphite
SMILESCCCCCCOP(O)OCc1ccccc1
InChIInChI=1S/C13H21O3P/c1-2-3-4-8-11-15-17(14)16-12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3
InChIKeyYHRQMYUDSVTGMJ-UHFFFAOYSA-N
XLogP4.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 54.02
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 dodecyl hydrogen phosphite
CID 161198417
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 hexyl hydrogen phosphite?
The IUPAC name of benzyl hexyl hydrogen phosphite (CID 174676176) is benzyl hexyl hydrogen phosphite.
What is the SMILES notation for benzyl hexyl hydrogen phosphite?
The canonical SMILES for benzyl hexyl hydrogen phosphite is CCCCCCOP(O)OCc1ccccc1.
What is the InChIKey of benzyl hexyl hydrogen phosphite?
The InChIKey is YHRQMYUDSVTGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O3P/c1-2-3-4-8-11-15-17(14)16-12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3.
What are the key properties of benzyl hexyl hydrogen phosphite?
benzyl hexyl hydrogen phosphite has a molecular weight of 256.28 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl hexyl hydrogen phosphite is sourced from PubChem (CID 174676176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).