hexyl methyl hydrogen phosphite

C7H17O3P — CID 22731198

IUPAChexyl methyl hydrogen phosphite
SMILESCCCCCCOP(O)OC
InChIInChI=1S/C7H17O3P/c1-3-4-5-6-7-10-11(8)9-2/h8H,3-7H2,1-2H3
InChIKeyOWNREPLQSNCLCY-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.45
Rot. Bonds7

About hexyl methyl hydrogen phosphite

hexyl methyl hydrogen phosphite (PubChem CID 22731198) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is hexyl methyl hydrogen phosphite.

Molecular Properties

Compound Namehexyl methyl hydrogen phosphite
PubChem CID22731198
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Namehexyl methyl hydrogen phosphite
SMILESCCCCCCOP(O)OC
InChIInChI=1S/C7H17O3P/c1-3-4-5-6-7-10-11(8)9-2/h8H,3-7H2,1-2H3
InChIKeyOWNREPLQSNCLCY-UHFFFAOYSA-N
XLogP2.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.45
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

didecyl hydrogen phosphite
CID 14151265
propyl tetradecyl hydrogen phosphite
CID 121403997
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)
CID 87482236
didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane
CID 159134854
azane;hexyl dihydrogen phosphite
CID 173357133
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
dihydroxy(oxo)titanium;[hydroxy(octoxy)phosphanyl] octyl hydrogen phosphite
CID 87479018
pentadecoxyphosphonamidous acid
CID 149252404
disodium;hexyl phosphite
CID 139691830
pentyl dihydrogen phosphite;zinc
CID 88839337

Frequently Asked Questions

What is the IUPAC name of hexyl methyl hydrogen phosphite?
The IUPAC name of hexyl methyl hydrogen phosphite (CID 22731198) is hexyl methyl hydrogen phosphite.
What is the SMILES notation for hexyl methyl hydrogen phosphite?
The canonical SMILES for hexyl methyl hydrogen phosphite is CCCCCCOP(O)OC.
What is the InChIKey of hexyl methyl hydrogen phosphite?
The InChIKey is OWNREPLQSNCLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-3-4-5-6-7-10-11(8)9-2/h8H,3-7H2,1-2H3.
What are the key properties of hexyl methyl hydrogen phosphite?
hexyl methyl hydrogen phosphite has a molecular weight of 180.18 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl methyl hydrogen phosphite is sourced from PubChem (CID 22731198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).