azane;hexyl dihydrogen phosphite

C6H21N2O3P — CID 173357133

IUPACazane;hexyl dihydrogen phosphite
SMILESCCCCCCOP(O)O.N.N
InChIInChI=1S/C6H15O3P.2H3N/c1-2-3-4-5-6-9-10(7)8;;/h7-8H,2-6H2,1H3;2*1H3
InChIKeyYNNZIECSYTVFPG-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.12
Rot. Bonds6

About azane;hexyl dihydrogen phosphite

azane;hexyl dihydrogen phosphite (PubChem CID 173357133) has the molecular formula C6H21N2O3P and a molecular weight of 200.22 g/mol. Its IUPAC name is azane;hexyl dihydrogen phosphite.

Molecular Properties

Compound Nameazane;hexyl dihydrogen phosphite
PubChem CID173357133
Molecular FormulaC6H21N2O3P
Molecular Weight200.22 g/mol
Exact Mass200.13
IUPAC Nameazane;hexyl dihydrogen phosphite
SMILESCCCCCCOP(O)O.N.N
InChIInChI=1S/C6H15O3P.2H3N/c1-2-3-4-5-6-9-10(7)8;;/h7-8H,2-6H2,1H3;2*1H3
InChIKeyYNNZIECSYTVFPG-UHFFFAOYSA-N
XLogP2.12
TPSA119.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.12
H-Bond Donors ≤ 54
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

pentyl dihydrogen phosphite;zinc
CID 88839337
2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite
CID 175158559
didecyl hydrogen phosphite
CID 14151265
propyl tetradecyl hydrogen phosphite
CID 121403997
pentadecoxyphosphonamidous acid
CID 149252404
hexyl methyl hydrogen phosphite
CID 22731198
4,4-bis(nonylsulfanyl)butyl dihydrogen phosphite
CID 54212091
triheptadecyl phosphite
CID 23435031
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 67253735
dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)
CID 87482236
6-ethyloctyl dihydrogen phosphite
CID 141350214

Frequently Asked Questions

What is the IUPAC name of azane;hexyl dihydrogen phosphite?
The IUPAC name of azane;hexyl dihydrogen phosphite (CID 173357133) is azane;hexyl dihydrogen phosphite.
What is the SMILES notation for azane;hexyl dihydrogen phosphite?
The canonical SMILES for azane;hexyl dihydrogen phosphite is CCCCCCOP(O)O.N.N.
What is the InChIKey of azane;hexyl dihydrogen phosphite?
The InChIKey is YNNZIECSYTVFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P.2H3N/c1-2-3-4-5-6-9-10(7)8;;/h7-8H,2-6H2,1H3;2*1H3.
What are the key properties of azane;hexyl dihydrogen phosphite?
azane;hexyl dihydrogen phosphite has a molecular weight of 200.22 g/mol, XLogP of 2.12, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexyl dihydrogen phosphite is sourced from PubChem (CID 173357133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).