bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane)

C90H195N3O24P7S7- — CID 158117542

IUPACbis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane)
SMILESCC(C)(C)OP(=O)(OC(C)(C)C)SCCN1CCCCC1.CC(C)(C)OP(=O)(OC(C)(C)C)SCCOC(=O)C(C)(C)CCN1CCCCC1.CC(C)(C)OP(=O)(OC(C)(C)C)SCN1CCCCC1.CC(C)(C)OP([O-])(=S)OC(C)(C)C.CCCSP(=O)(OC(C)(C)C)OC(C)(C)C.CCCSP(=O)(OC(C)(C)C)OC(C)(C)C.COCSP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C21H42NO5PS.C15H32NO3PS.C14H30NO3PS.2C11H25O3PS.C10H23O4PS.C8H19O3PS/c1-19(2,3)26-28(24,27-20(4,5)6)29-17-16-25-18(23)21(7,8)12-15-22-13-10-9-11-14-22;1-14(2,3)18-20(17,19-15(4,5)6)21-13-12-16-10-8-7-9-11-16;1-13(2,3)17-19(16,18-14(4,5)6)20-12-15-10-8-7-9-11-15;2*1-8-9-16-15(12,13-10(2,3)4)14-11(5,6)7;1-9(2,3)13-15(11,16-8-12-7)14-10(4,5)6;1-7(2,3)10-12(9,13)11-8(4,5)6/h9-17H2,1-8H3;7-13H2,1-6H3;7-12H2,1-6H3;2*8-9H2,1-7H3;8H2,1-7H3;1-6H3,(H,9,13)/p-1
InChIKeyFRETZSSHZYZUAP-UHFFFAOYSA-M
MW2144.83 g/mol
LogP31.75
Rot. Bonds38

About bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane)

bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane) (PubChem CID 158117542) has the molecular formula C90H195N3O24P7S7- and a molecular weight of 2144.83 g/mol. Its IUPAC name is bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane).

Molecular Properties

Compound Namebis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane)
PubChem CID158117542
Molecular FormulaC90H195N3O24P7S7-
Molecular Weight2144.83 g/mol
Exact Mass2143.03
IUPAC Namebis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane)
SMILESCC(C)(C)OP(=O)(OC(C)(C)C)SCCN1CCCCC1.CC(C)(C)OP(=O)(OC(C)(C)C)SCCOC(=O)C(C)(C)CCN1CCCCC1.CC(C)(C)OP(=O)(OC(C)(C)C)SCN1CCCCC1.CC(C)(C)OP([O-])(=S)OC(C)(C)C.CCCSP(=O)(OC(C)(C)C)OC(C)(C)C.CCCSP(=O)(OC(C)(C)C)OC(C)(C)C.COCSP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C21H42NO5PS.C15H32NO3PS.C14H30NO3PS.2C11H25O3PS.C10H23O4PS.C8H19O3PS/c1-19(2,3)26-28(24,27-20(4,5)6)29-17-16-25-18(23)21(7,8)12-15-22-13-10-9-11-14-22;1-14(2,3)18-20(17,19-15(4,5)6)21-13-12-16-10-8-7-9-11-16;1-13(2,3)17-19(16,18-14(4,5)6)20-12-15-10-8-7-9-11-15;2*1-8-9-16-15(12,13-10(2,3)4)14-11(5,6)7;1-9(2,3)13-15(11,16-8-12-7)14-10(4,5)6;1-7(2,3)10-12(9,13)11-8(4,5)6/h9-17H2,1-8H3;7-13H2,1-6H3;7-12H2,1-6H3;2*8-9H2,1-7H3;8H2,1-7H3;1-6H3,(H,9,13)/p-1
InChIKeyFRETZSSHZYZUAP-UHFFFAOYSA-M
XLogP31.75
TPSA299.95 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002144.83
LogP ≤ 531.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

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'}

Analyze bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane) with MolForge

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Launch Full Analysis

Related Compounds

2-[2-methylpentan-2-yloxy-[(2-methylpropan-2-yl)oxy]phosphoryl]sulfanylethyl 2,2-dimethyl-4-(4-methylpiperazin-1-yl)butanoate
CID 130474489
2-[(2-methylpropan-2-yl)oxy-pentan-2-yloxyphosphoryl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 134232893
2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 118262907
2-[(2-methylpropan-2-yl)oxy-methylsulfanylphosphoryl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 126560039
2-[3-methylbutoxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 134232921
undecyl 2,2-dimethyl-6-pyrrolidin-1-ylhexanoate
CID 170975773
methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate
CID 157124650
2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butanoyl]oxyethylsulfanylphosphinous acid
CID 145237010
2-[bis(3-methylpentan-3-yloxy)phosphoryloxy]ethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 139303195
(2,2-dimethyl-4-morpholin-4-ylbutanoyl)oxymethylsulfanyl-methoxyphosphinic acid
CID 145397603
(5-ethylsulfanyl-3,3-dimethylpentyl) 2,2-dimethyl-4-(4-methylpiperazin-1-yl)butanoate
CID 146618442
2-[[2,2-dimethylpropyl-[(2-methylpropan-2-yl)oxy]phosphoryl]amino]ethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 135276580

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane)?
The IUPAC name of bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane) (CID 158117542) is bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane).
What is the SMILES notation for bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane)?
The canonical SMILES for bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane) is CC(C)(C)OP(=O)(OC(C)(C)C)SCCN1CCCCC1.CC(C)(C)OP(=O)(OC(C)(C)C)SCCOC(=O)C(C)(C)CCN1CCCCC1.CC(C)(C)OP(=O)(OC(C)(C)C)SCN1CCCCC1.CC(C)(C)OP([O-])(=S)OC(C)(C)C.CCCSP(=O)(OC(C)(C)C)OC(C)(C)C.CCCSP(=O)(OC(C)(C)C)OC(C)(C)C.COCSP(=O)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane)?
The InChIKey is FRETZSSHZYZUAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H42NO5PS.C15H32NO3PS.C14H30NO3PS.2C11H25O3PS.C10H23O4PS.C8H19O3PS/c1-19(2,3)26-28(24,27-20(4,5)6)29-17-16-25-18(23)21(7,8)12-15-22-13-10-9-11-14-22;1-14(2,3)18-20(17,19-15(4,5)6)21-13-12-16-10-8-7-9-11-16;1-13(2,3)17-19(16,18-14(4,5)6)20-12-15-10-8-7-9-11-15;2*1-8-9-16-15(12,13-10(2,3)4)14-11(5,6)7;1-9(2,3)13-15(11,16-8-12-7)14-10(4,5)6;1-7(2,3)10-12(9,13)11-8(4,5)6/h9-17H2,1-8H3;7-13H2,1-6H3;7-12H2,1-6H3;2*8-9H2,1-7H3;8H2,1-7H3;1-6H3,(H,9,13)/p-1.
What are the key properties of bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane)?
bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane) has a molecular weight of 2144.83 g/mol, XLogP of 31.75, 38 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylpropan-2-yl)oxy]-oxido-sulfanylidene-λ5-phosphane;2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate;1-[2-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanyl]ethyl]piperidine;1-[bis[(2-methylpropan-2-yl)oxy]phosphorylsulfanylmethyl]piperidine;2-[methoxymethylsulfanyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane;bis(2-methyl-2-[(2-methylpropan-2-yl)oxy-propylsulfanylphosphoryl]oxypropane) is sourced from PubChem (CID 158117542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).