butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane

C75H195O45P15 — CID 161146622

IUPACbutoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane
SMILESCCCCOP(C)(=O)O.CCCCOP(C)(=O)OC.CCCCOP(C)(=O)OCC.CCCCOP(C)(=O)OCCC.CCCCOP(C)(=O)OCCCC.CCCOP(C)(=O)O.CCCOP(C)(=O)OC.CCCOP(C)(=O)OCC.CCCOP(C)(=O)OCCC.CCOP(C)(=O)O.CCOP(C)(=O)OC.CCOP(C)(=O)OCC.COP(C)(=O)O.COP(C)(=O)OC.CP(=O)(O)O
InChIInChI=1S/C9H21O3P.C8H19O3P.2C7H17O3P.2C6H15O3P.3C5H13O3P.2C4H11O3P.2C3H9O3P.C2H7O3P.CH5O3P/c1-4-6-8-11-13(3,10)12-9-7-5-2;1-4-6-8-11-12(3,9)10-7-5-2;1-4-6-7-10-11(3,8)9-5-2;1-4-6-9-11(3,8)10-7-5-2;1-4-5-6-9-10(3,7)8-2;1-4-6-9-10(3,7)8-5-2;1-4-5-8-9(3,6)7-2;1-4-7-9(3,6)8-5-2;1-3-4-5-8-9(2,6)7;1-4-7-8(3,5)6-2;1-3-4-7-8(2,5)6;1-5-7(3,4)6-2;1-3-6-7(2,4)5;1-5-6(2,3)4;1-5(2,3)4/h4-9H2,1-3H3;4-8H2,1-3H3;2*4-7H2,1-3H3;2*4-6H2,1-3H3;2*4-5H2,1-3H3;3-5H2,1-2H3,(H,6,7);4H2,1-3H3;3-4H2,1-2H3,(H,5,6);1-3H3;3H2,1-2H3,(H,4,5);1-2H3,(H,3,4);1H3,(H2,2,3,4)
InChIKeyUODFEUJLENWKSY-UHFFFAOYSA-N
MW2281.95 g/mol
LogP26.65
Rot. Bonds60

About butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane

butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane (PubChem CID 161146622) has the molecular formula C75H195O45P15 and a molecular weight of 2281.95 g/mol. Its IUPAC name is butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Namebutoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane
PubChem CID161146622
Molecular FormulaC75H195O45P15
Molecular Weight2281.95 g/mol
Exact Mass2280.90
IUPAC Namebutoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane
SMILESCCCCOP(C)(=O)O.CCCCOP(C)(=O)OC.CCCCOP(C)(=O)OCC.CCCCOP(C)(=O)OCCC.CCCCOP(C)(=O)OCCCC.CCCOP(C)(=O)O.CCCOP(C)(=O)OC.CCCOP(C)(=O)OCC.CCCOP(C)(=O)OCCC.CCOP(C)(=O)O.CCOP(C)(=O)OC.CCOP(C)(=O)OCC.COP(C)(=O)O.COP(C)(=O)OC.CP(=O)(O)O
InChIInChI=1S/C9H21O3P.C8H19O3P.2C7H17O3P.2C6H15O3P.3C5H13O3P.2C4H11O3P.2C3H9O3P.C2H7O3P.CH5O3P/c1-4-6-8-11-13(3,10)12-9-7-5-2;1-4-6-8-11-12(3,9)10-7-5-2;1-4-6-7-10-11(3,8)9-5-2;1-4-6-9-11(3,8)10-7-5-2;1-4-5-6-9-10(3,7)8-2;1-4-6-9-10(3,7)8-5-2;1-4-5-8-9(3,6)7-2;1-4-7-9(3,6)8-5-2;1-3-4-5-8-9(2,6)7;1-4-7-8(3,5)6-2;1-3-4-7-8(2,5)6;1-5-7(3,4)6-2;1-3-6-7(2,4)5;1-5-6(2,3)4;1-5(2,3)4/h4-9H2,1-3H3;4-8H2,1-3H3;2*4-7H2,1-3H3;2*4-6H2,1-3H3;2*4-5H2,1-3H3;3-5H2,1-2H3,(H,6,7);4H2,1-3H3;3-4H2,1-2H3,(H,5,6);1-3H3;3H2,1-2H3,(H,4,5);1-2H3,(H,3,4);1H3,(H2,2,3,4)
InChIKeyUODFEUJLENWKSY-UHFFFAOYSA-N
XLogP26.65
TPSA598.95 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds60
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002281.95
LogP ≤ 526.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[butoxy(methyl)phosphoryl]oxydecane
CID 89088308
4-[ethoxy(hydroxy)phosphoryl]oxybutoxy-methylphosphinic acid
CID 58291192
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
CID 18714474
dibutyl hydrogen phosphate
CID 158586372
azane;butyl dihydrogen phosphate
CID 173333807
butyl dihydrogen phosphate;2-methylprop-1-ene
CID 162187619
2-[butoxy(methyl)phosphoryl]oxyacetonitrile
CID 71443697
ethoxy-[3-[methoxy(methyl)phosphoryl]oxypropyl]-dimethylsilane
CID 57271043
butoxy(ethyl)phosphinic acid
CID 71353007
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631

Frequently Asked Questions

What is the IUPAC name of butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane?
The IUPAC name of butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane (CID 161146622) is butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane.
What is the SMILES notation for butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane?
The canonical SMILES for butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane is CCCCOP(C)(=O)O.CCCCOP(C)(=O)OC.CCCCOP(C)(=O)OCC.CCCCOP(C)(=O)OCCC.CCCCOP(C)(=O)OCCCC.CCCOP(C)(=O)O.CCCOP(C)(=O)OC.CCCOP(C)(=O)OCC.CCCOP(C)(=O)OCCC.CCOP(C)(=O)O.CCOP(C)(=O)OC.CCOP(C)(=O)OCC.COP(C)(=O)O.COP(C)(=O)OC.CP(=O)(O)O.
What is the InChIKey of butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane?
The InChIKey is UODFEUJLENWKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3P.C8H19O3P.2C7H17O3P.2C6H15O3P.3C5H13O3P.2C4H11O3P.2C3H9O3P.C2H7O3P.CH5O3P/c1-4-6-8-11-13(3,10)12-9-7-5-2;1-4-6-8-11-12(3,9)10-7-5-2;1-4-6-7-10-11(3,8)9-5-2;1-4-6-9-11(3,8)10-7-5-2;1-4-5-6-9-10(3,7)8-2;1-4-6-9-10(3,7)8-5-2;1-4-5-8-9(3,6)7-2;1-4-7-9(3,6)8-5-2;1-3-4-5-8-9(2,6)7;1-4-7-8(3,5)6-2;1-3-4-7-8(2,5)6;1-5-7(3,4)6-2;1-3-6-7(2,4)5;1-5-6(2,3)4;1-5(2,3)4/h4-9H2,1-3H3;4-8H2,1-3H3;2*4-7H2,1-3H3;2*4-6H2,1-3H3;2*4-5H2,1-3H3;3-5H2,1-2H3,(H,6,7);4H2,1-3H3;3-4H2,1-2H3,(H,5,6);1-3H3;3H2,1-2H3,(H,4,5);1-2H3,(H,3,4);1H3,(H2,2,3,4).
What are the key properties of butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane?
butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane has a molecular weight of 2281.95 g/mol, XLogP of 26.65, 60 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(methyl)phosphinic acid;1-[butoxy(methyl)phosphoryl]oxybutane;ethoxy(methyl)phosphinic acid;1-[ethoxy(methyl)phosphoryl]oxybutane;1-[ethoxy(methyl)phosphoryl]oxyethane;1-[ethoxy(methyl)phosphoryl]oxypropane;methoxy(methyl)phosphinic acid;1-[methoxy(methyl)phosphoryl]oxybutane;1-[methoxy(methyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane;1-[methoxy(methyl)phosphoryl]oxypropane;methylphosphonic acid;methyl(propoxy)phosphinic acid;1-[methyl(propoxy)phosphoryl]oxybutane;1-[methyl(propoxy)phosphoryl]oxypropane is sourced from PubChem (CID 161146622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).