3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide)

C98H211NO42P8S5 — CID 167661222

About 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide)

3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide) (PubChem CID 167661222) has the molecular formula C98H211NO42P8S5 and a molecular weight of 2483.86 g/mol. Its IUPAC name is 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide).

Molecular Properties

• Compound Name: 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide)
• PubChem CID: 167661222
• Molecular Formula: C98H211NO42P8S5
• Molecular Weight: 2483.86 g/mol
• Exact Mass: 2482.09
• IUPAC Name: 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide)
• SMILES: CC(=O)CCCP(CCCC(=O)O)CCCC(=O)OC(C)C.CC(=O)CCP(CCC(=O)O)CCC(=O)OC(C)C.CC(C)OC(=O)C(N)CS.CC(C)OCCP(CCO)CCO.CC(C)OCCS(=O)(=O)O.CC(C)OCP(CO)CO.CCCCP(CCCO)CCCOC(C)C.COCCCP(CCCO)CCCOC(C)C.COCCP(CCO)CCOC(C)C.COCP(CO)COC(C)C.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
• InChI: InChI=1S/C16H29O5P.C13H23O5P.C13H29O3P.C13H29O2P.C10H23O3P.C9H21O3P.C7H17O3P.C6H13NO2S.C6H15O3P.C5H12O4S.3O3S/c1-13(2)21-16(20)9-6-12-22(10-4-7-14(3)17)11-5-8-15(18)19;1-10(2)18-13(17)6-9-19(7-4-11(3)14)8-5-12(15)16;1-13(2)16-9-6-12-17(10-4-7-14)11-5-8-15-3;1-4-5-10-16(11-6-8-14)12-7-9-15-13(2)3;1-10(2)13-6-9-14(7-4-11)8-5-12-3;1-9(2)12-5-8-13(6-3-10)7-4-11;1-7(2)10-6-11(4-8)5-9-3;1-4(2)9-6(8)5(7)3-10;1-6(2)9-5-10(3-7)4-8;1-5(2)9-3-4-10(6,7)8;3*1-4(2)3/h13H,4-12H2,1-3H3,(H,18,19);10H,4-9H2,1-3H3,(H,15,16);13-14H,4-12H2,1-3H3;13-14H,4-12H2,1-3H3;10-11H,4-9H2,1-3H3;9-11H,3-8H2,1-2H3;7-8H,4-6H2,1-3H3;4-5,10H,3,7H2,1-2H3;6-8H,3-5H2,1-2H3;5H,3-4H2,1-2H3,(H,6,7,8)
• InChIKey: RZGSVOIMNPLYPF-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 675.80 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 41
• Rotatable Bonds: 81
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2483.86
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide)?

The IUPAC name of 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide) (CID 167661222) is 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide).

What is the SMILES notation for 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide)?

The canonical SMILES for 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide) is CC(=O)CCCP(CCCC(=O)O)CCCC(=O)OC(C)C.CC(=O)CCP(CCC(=O)O)CCC(=O)OC(C)C.CC(C)OC(=O)C(N)CS.CC(C)OCCP(CCO)CCO.CC(C)OCCS(=O)(=O)O.CC(C)OCP(CO)CO.CCCCP(CCCO)CCCOC(C)C.COCCCP(CCCO)CCCOC(C)C.COCCP(CCO)CCOC(C)C.COCP(CO)COC(C)C.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.

What is the InChIKey of 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide)?

The InChIKey is RZGSVOIMNPLYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29O5P.C13H23O5P.C13H29O3P.C13H29O2P.C10H23O3P.C9H21O3P.C7H17O3P.C6H13NO2S.C6H15O3P.C5H12O4S.3O3S/c1-13(2)21-16(20)9-6-12-22(10-4-7-14(3)17)11-5-8-15(18)19;1-10(2)18-13(17)6-9-19(7-4-11(3)14)8-5-12(15)16;1-13(2)16-9-6-12-17(10-4-7-14)11-5-8-15-3;1-4-5-10-16(11-6-8-14)12-7-9-15-13(2)3;1-10(2)13-6-9-14(7-4-11)8-5-12-3;1-9(2)12-5-8-13(6-3-10)7-4-11;1-7(2)10-6-11(4-8)5-9-3;1-4(2)9-6(8)5(7)3-10;1-6(2)9-5-10(3-7)4-8;1-5(2)9-3-4-10(6,7)8;3*1-4(2)3/h13H,4-12H2,1-3H3,(H,18,19);10H,4-9H2,1-3H3,(H,15,16);13-14H,4-12H2,1-3H3;13-14H,4-12H2,1-3H3;10-11H,4-9H2,1-3H3;9-11H,3-8H2,1-2H3;7-8H,4-6H2,1-3H3;4-5,10H,3,7H2,1-2H3;6-8H,3-5H2,1-2H3;5H,3-4H2,1-2H3,(H,6,7,8);;;.

What are the key properties of 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide)?

3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide) has a molecular weight of 2483.86 g/mol, XLogP of 13.91, 81 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[butyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;2-[2-hydroxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[hydroxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;propan-2-yl 2-amino-3-sulfanylpropanoate;2-propan-2-yloxyethanesulfonic acid;tris(sulfur trioxide) is sourced from PubChem (CID 167661222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).