phosphorous acid;tris(6-methylheptyl) phosphite

C24H54O6P2 — CID 87841257

IUPACphosphorous acid;tris(6-methylheptyl) phosphite
SMILESCC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C.OP(O)O
InChIInChI=1S/C24H51O3P.H3O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6;1-4(2)3/h22-24H,7-21H2,1-6H3;1-3H
InChIKeyMIDWWRLYQJOQQZ-UHFFFAOYSA-N
MW500.64 g/mol
LogP8.10
Rot. Bonds21

About phosphorous acid;tris(6-methylheptyl) phosphite

phosphorous acid;tris(6-methylheptyl) phosphite (PubChem CID 87841257) has the molecular formula C24H54O6P2 and a molecular weight of 500.64 g/mol. Its IUPAC name is phosphorous acid;tris(6-methylheptyl) phosphite.

Molecular Properties

Compound Namephosphorous acid;tris(6-methylheptyl) phosphite
PubChem CID87841257
Molecular FormulaC24H54O6P2
Molecular Weight500.64 g/mol
Exact Mass500.34
IUPAC Namephosphorous acid;tris(6-methylheptyl) phosphite
SMILESCC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C.OP(O)O
InChIInChI=1S/C24H51O3P.H3O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6;1-4(2)3/h22-24H,7-21H2,1-6H3;1-3H
InChIKeyMIDWWRLYQJOQQZ-UHFFFAOYSA-N
XLogP8.10
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 58.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

[hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite
CID 88626572
(dodecylamino) bis(6-methylheptyl) phosphite
CID 175403523
tris(bis(6-methylheptyl) phosphite);bis(neodymium(3+));trichloride
CID 173056546
dihydroxyphosphanyl bis(8-methylnonoxy) phosphite
CID 141008258
1-hydroperoxy-6-methylheptane
CID 87470675
bis(6-methylheptyl) hydrogen phosphite;1,2-xylene
CID 175467030
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

Frequently Asked Questions

What is the IUPAC name of phosphorous acid;tris(6-methylheptyl) phosphite?
The IUPAC name of phosphorous acid;tris(6-methylheptyl) phosphite (CID 87841257) is phosphorous acid;tris(6-methylheptyl) phosphite.
What is the SMILES notation for phosphorous acid;tris(6-methylheptyl) phosphite?
The canonical SMILES for phosphorous acid;tris(6-methylheptyl) phosphite is CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C.OP(O)O.
What is the InChIKey of phosphorous acid;tris(6-methylheptyl) phosphite?
The InChIKey is MIDWWRLYQJOQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O3P.H3O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6;1-4(2)3/h22-24H,7-21H2,1-6H3;1-3H.
What are the key properties of phosphorous acid;tris(6-methylheptyl) phosphite?
phosphorous acid;tris(6-methylheptyl) phosphite has a molecular weight of 500.64 g/mol, XLogP of 8.10, 21 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorous acid;tris(6-methylheptyl) phosphite is sourced from PubChem (CID 87841257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).