trioctoxymethoxyphosphane

C25H53O4P — CID 175426752

IUPACtrioctoxymethoxyphosphane
SMILESCCCCCCCCOC(OP)(OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C25H53O4P/c1-4-7-10-13-16-19-22-26-25(29-30,27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h4-24,30H2,1-3H3
InChIKeyQWBKFVLGTFIKIA-UHFFFAOYSA-N
MW448.67 g/mol
LogP8.54
Rot. Bonds25

About trioctoxymethoxyphosphane

trioctoxymethoxyphosphane (PubChem CID 175426752) has the molecular formula C25H53O4P and a molecular weight of 448.67 g/mol. Its IUPAC name is trioctoxymethoxyphosphane.

Molecular Properties

Compound Nametrioctoxymethoxyphosphane
PubChem CID175426752
Molecular FormulaC25H53O4P
Molecular Weight448.67 g/mol
Exact Mass448.37
IUPAC Nametrioctoxymethoxyphosphane
SMILESCCCCCCCCOC(OP)(OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C25H53O4P/c1-4-7-10-13-16-19-22-26-25(29-30,27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h4-24,30H2,1-3H3
InChIKeyQWBKFVLGTFIKIA-UHFFFAOYSA-N
XLogP8.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.67
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(trichloromethoxy)hexane
CID 87956638
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
10-decoxy-10-nonylnonadecane
CID 150430521
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
azane;2-dodecoxypropan-2-ol
CID 87960511
9-heptoxy-9-methylhenicosane
CID 91127088
2-dodecoxy-2-methyltetradecane
CID 158074564
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)octane
CID 71328605
pentoxyphosphane;trihydrate
CID 172746839
decane;ruthenium
CID 160818595
2,2,2-trihexoxyacetaldehyde
CID 88826510

Frequently Asked Questions

What is the IUPAC name of trioctoxymethoxyphosphane?
The IUPAC name of trioctoxymethoxyphosphane (CID 175426752) is trioctoxymethoxyphosphane.
What is the SMILES notation for trioctoxymethoxyphosphane?
The canonical SMILES for trioctoxymethoxyphosphane is CCCCCCCCOC(OP)(OCCCCCCCC)OCCCCCCCC.
What is the InChIKey of trioctoxymethoxyphosphane?
The InChIKey is QWBKFVLGTFIKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53O4P/c1-4-7-10-13-16-19-22-26-25(29-30,27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h4-24,30H2,1-3H3.
What are the key properties of trioctoxymethoxyphosphane?
trioctoxymethoxyphosphane has a molecular weight of 448.67 g/mol, XLogP of 8.54, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trioctoxymethoxyphosphane is sourced from PubChem (CID 175426752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).