octadecan-3-yl dihydrogen phosphite

C18H39O3P — CID 87219240

IUPACoctadecan-3-yl dihydrogen phosphite
SMILESCCCCCCCCCCCCCCCC(CC)OP(O)O
InChIInChI=1S/C18H39O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(4-2)21-22(19)20/h18-20H,3-17H2,1-2H3
InChIKeyAPHYTQMIMPZJLQ-UHFFFAOYSA-N
MW334.48 g/mol
LogP6.47
Rot. Bonds17

About octadecan-3-yl dihydrogen phosphite

octadecan-3-yl dihydrogen phosphite (PubChem CID 87219240) has the molecular formula C18H39O3P and a molecular weight of 334.48 g/mol. Its IUPAC name is octadecan-3-yl dihydrogen phosphite.

Molecular Properties

Compound Nameoctadecan-3-yl dihydrogen phosphite
PubChem CID87219240
Molecular FormulaC18H39O3P
Molecular Weight334.48 g/mol
Exact Mass334.26
IUPAC Nameoctadecan-3-yl dihydrogen phosphite
SMILESCCCCCCCCCCCCCCCC(CC)OP(O)O
InChIInChI=1S/C18H39O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(4-2)21-22(19)20/h18-20H,3-17H2,1-2H3
InChIKeyAPHYTQMIMPZJLQ-UHFFFAOYSA-N
XLogP6.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 56.47
H-Bond Donors ≤ 52
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

2-methyltridecan-4-yl dihydrogen phosphite
CID 154375180
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
ditetracosan-12-yl hydrogen phosphite
CID 23465328
3-hydroperoxyoctane
CID 22268892
ethyl-methyl-octan-3-yloxyphosphane
CID 22628649
tris(dioctan-3-yl phosphite);neodymium(3+)
CID 173353082
tripentadecan-6-yl phosphite
CID 87207088
di(tricosan-3-yloxy)silane
CID 173236024
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
henicosan-3-yl hydrogen carbonate
CID 87300438
[(3S)-nonan-3-yl] acetate
CID 76967958

Frequently Asked Questions

What is the IUPAC name of octadecan-3-yl dihydrogen phosphite?
The IUPAC name of octadecan-3-yl dihydrogen phosphite (CID 87219240) is octadecan-3-yl dihydrogen phosphite.
What is the SMILES notation for octadecan-3-yl dihydrogen phosphite?
The canonical SMILES for octadecan-3-yl dihydrogen phosphite is CCCCCCCCCCCCCCCC(CC)OP(O)O.
What is the InChIKey of octadecan-3-yl dihydrogen phosphite?
The InChIKey is APHYTQMIMPZJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(4-2)21-22(19)20/h18-20H,3-17H2,1-2H3.
What are the key properties of octadecan-3-yl dihydrogen phosphite?
octadecan-3-yl dihydrogen phosphite has a molecular weight of 334.48 g/mol, XLogP of 6.47, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-3-yl dihydrogen phosphite is sourced from PubChem (CID 87219240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).