[hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite

C16H36O5P2 — CID 88626572

IUPAC[hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite
SMILESCC(C)CCCCCOP(O)OP(O)OCCCCCC(C)C
InChIInChI=1S/C16H36O5P2/c1-15(2)11-7-5-9-13-19-22(17)21-23(18)20-14-10-6-8-12-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyZPYMLWASYJECBT-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.91
Rot. Bonds16

About [hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite

[hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite (PubChem CID 88626572) has the molecular formula C16H36O5P2 and a molecular weight of 370.41 g/mol. Its IUPAC name is [hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite.

Molecular Properties

Compound Name[hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite
PubChem CID88626572
Molecular FormulaC16H36O5P2
Molecular Weight370.41 g/mol
Exact Mass370.20
IUPAC Name[hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite
SMILESCC(C)CCCCCOP(O)OP(O)OCCCCCC(C)C
InChIInChI=1S/C16H36O5P2/c1-15(2)11-7-5-9-13-19-22(17)21-23(18)20-14-10-6-8-12-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyZPYMLWASYJECBT-UHFFFAOYSA-N
XLogP5.91
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.91
H-Bond Donors ≤ 52
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

phosphorous acid;tris(6-methylheptyl) phosphite
CID 87841257
bis(6-methylheptyl) hydrogen phosphite;1,2-xylene
CID 175467030
tris(bis(6-methylheptyl) phosphite);bis(neodymium(3+));trichloride
CID 173056546
dihydroxyphosphanyl bis(8-methylnonoxy) phosphite
CID 141008258
1-hydroperoxy-6-methylheptane
CID 87470675
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983

Frequently Asked Questions

What is the IUPAC name of [hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite?
The IUPAC name of [hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite (CID 88626572) is [hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite.
What is the SMILES notation for [hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite?
The canonical SMILES for [hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite is CC(C)CCCCCOP(O)OP(O)OCCCCCC(C)C.
What is the InChIKey of [hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite?
The InChIKey is ZPYMLWASYJECBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O5P2/c1-15(2)11-7-5-9-13-19-22(17)21-23(18)20-14-10-6-8-12-16(3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of [hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite?
[hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite has a molecular weight of 370.41 g/mol, XLogP of 5.91, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite is sourced from PubChem (CID 88626572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).