10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate

C111H214N3O41P3S3Si4 — CID 159839521

IUPAC10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate
SMILESC=C(OC(=O)CCSCCC(=O)NCCCCCCCCCCP(=O)(O)O)OC(=O)C(=C)C.C=C(OC(=O)CCSCCC(=O)NCCCCCCCCCCP(=O)(OCC)OCC)OC(=O)C(=C)C.C=C(OC(=O)CCSCCC(=O)O)OC(=O)C(=C)C.C=CC(=O)OC(=C)OC(=O)C(=C)C.CCOP(=O)(CCCCCCCCCCN)OCC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC
InChIInChI=1S/C26H46NO8PS.C22H38NO8PS.C14H32NO3P.C12H16O6S.C9H10O4.4C7H18O3Si/c1-6-32-36(31,33-7-2)19-15-13-11-9-8-10-12-14-18-27-24(28)16-20-37-21-17-25(29)34-23(5)35-26(30)22(3)4;1-18(2)22(26)31-19(3)30-21(25)13-17-33-16-12-20(24)23-14-10-8-6-4-5-7-9-11-15-32(27,28)29;1-3-17-19(16,18-4-2)14-12-10-8-6-5-7-9-11-13-15;1-8(2)12(16)18-9(3)17-11(15)5-7-19-6-4-10(13)14;1-5-8(10)12-7(4)13-9(11)6(2)3;4*1-8-6-5-7-11(4,9-2)10-3/h3,5-21H2,1-2,4H3,(H,27,28);1,3-17H2,2H3,(H,23,24)(H2,27,28,29);3-15H2,1-2H3;1,3-7H2,2H3,(H,13,14);5H,1-2,4H2,3H3;4*5-7H2,1-4H3
InChIKeyNOMRQIGDFDTYNV-UHFFFAOYSA-N
MW2548.38 g/mol
LogP23.09
Rot. Bonds95

About 10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate

10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate (PubChem CID 159839521) has the molecular formula C111H214N3O41P3S3Si4 and a molecular weight of 2548.38 g/mol. Its IUPAC name is 10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate
PubChem CID159839521
Molecular FormulaC111H214N3O41P3S3Si4
Molecular Weight2548.38 g/mol
Exact Mass2546.22
IUPAC Name10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate
SMILESC=C(OC(=O)CCSCCC(=O)NCCCCCCCCCCP(=O)(O)O)OC(=O)C(=C)C.C=C(OC(=O)CCSCCC(=O)NCCCCCCCCCCP(=O)(OCC)OCC)OC(=O)C(=C)C.C=C(OC(=O)CCSCCC(=O)O)OC(=O)C(=C)C.C=CC(=O)OC(=C)OC(=O)C(=C)C.CCOP(=O)(CCCCCCCCCCN)OCC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC
InChIInChI=1S/C26H46NO8PS.C22H38NO8PS.C14H32NO3P.C12H16O6S.C9H10O4.4C7H18O3Si/c1-6-32-36(31,33-7-2)19-15-13-11-9-8-10-12-14-18-27-24(28)16-20-37-21-17-25(29)34-23(5)35-26(30)22(3)4;1-18(2)22(26)31-19(3)30-21(25)13-17-33-16-12-20(24)23-14-10-8-6-4-5-7-9-11-15-32(27,28)29;1-3-17-19(16,18-4-2)14-12-10-8-6-5-7-9-11-13-15;1-8(2)12(16)18-9(3)17-11(15)5-7-19-6-4-10(13)14;1-5-8(10)12-7(4)13-9(11)6(2)3;4*1-8-6-5-7-11(4,9-2)10-3/h3,5-21H2,1-2,4H3,(H,27,28);1,3-17H2,2H3,(H,23,24)(H2,27,28,29);3-15H2,1-2H3;1,3-7H2,2H3,(H,13,14);5H,1-2,4H2,3H3;4*5-7H2,1-4H3
InChIKeyNOMRQIGDFDTYNV-UHFFFAOYSA-N
XLogP23.09
TPSA571.27 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds95
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002548.38
LogP ≤ 523.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate with MolForge

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Related Compounds

1-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethenyl 2-methylprop-2-enoate;tris(dimethoxy-(3-methoxypropyl)-methylsilane);2-(2-hydroxyethylamino)ethanol;bis(1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate)
CID 158398630
[2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propanoyloxymethyl]-2-(prop-2-enoyloxymethyl)butyl] 3-diethoxyphosphorylpropanoate;[2-(prop-2-enoyloxymethyl)-2-[3-(3-trimethoxysilylpropylsulfanyl)propanoyloxymethyl]butyl] 3-diethoxyphosphorylpropanoate
CID 159610935
7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320
N-(5-aminopentyl)-3-[3-[[3-(5-aminopentylamino)-3-oxopropyl]sulfanylmethyl]-2-methylidenebut-3-enyl]sulfanylpropanamide
CID 123441584
3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate
CID 118143712
10-[3-(2-methylprop-2-enoyloxy)propylamino]-10-oxodecanoic acid
CID 118143869
8-[3-(2-methylprop-2-enoyloxy)propylamino]-8-oxooctanoic acid
CID 118143504
3-[2-(3-methoxypropanoylamino)ethylsulfanyl]propanoic acid
CID 115731555
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
4-diethoxyphosphorylbutanehydrazide
CID 156632548
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390

Frequently Asked Questions

What is the IUPAC name of 10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate?
The IUPAC name of 10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate (CID 159839521) is 10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate.
What is the SMILES notation for 10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate?
The canonical SMILES for 10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate is C=C(OC(=O)CCSCCC(=O)NCCCCCCCCCCP(=O)(O)O)OC(=O)C(=C)C.C=C(OC(=O)CCSCCC(=O)NCCCCCCCCCCP(=O)(OCC)OCC)OC(=O)C(=C)C.C=C(OC(=O)CCSCCC(=O)O)OC(=O)C(=C)C.C=CC(=O)OC(=C)OC(=O)C(=C)C.CCOP(=O)(CCCCCCCCCCN)OCC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.COCCC[Si](C)(OC)OC.
What is the InChIKey of 10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate?
The InChIKey is NOMRQIGDFDTYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46NO8PS.C22H38NO8PS.C14H32NO3P.C12H16O6S.C9H10O4.4C7H18O3Si/c1-6-32-36(31,33-7-2)19-15-13-11-9-8-10-12-14-18-27-24(28)16-20-37-21-17-25(29)34-23(5)35-26(30)22(3)4;1-18(2)22(26)31-19(3)30-21(25)13-17-33-16-12-20(24)23-14-10-8-6-4-5-7-9-11-15-32(27,28)29;1-3-17-19(16,18-4-2)14-12-10-8-6-5-7-9-11-13-15;1-8(2)12(16)18-9(3)17-11(15)5-7-19-6-4-10(13)14;1-5-8(10)12-7(4)13-9(11)6(2)3;4*1-8-6-5-7-11(4,9-2)10-3/h3,5-21H2,1-2,4H3,(H,27,28);1,3-17H2,2H3,(H,23,24)(H2,27,28,29);3-15H2,1-2H3;1,3-7H2,2H3,(H,13,14);5H,1-2,4H2,3H3;4*5-7H2,1-4H3.
What are the key properties of 10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate?
10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate has a molecular weight of 2548.38 g/mol, XLogP of 23.09, 95 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 10-diethoxyphosphoryldecan-1-amine;1-[3-[3-(10-diethoxyphosphoryldecylamino)-3-oxopropyl]sulfanylpropanoyloxy]ethenyl 2-methylprop-2-enoate;tetrakis(dimethoxy-(3-methoxypropyl)-methylsilane);3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoic acid;10-[3-[3-[1-(2-methylprop-2-enoyloxy)ethenoxy]-3-oxopropyl]sulfanylpropanoylamino]decylphosphonic acid;1-prop-2-enoyloxyethenyl 2-methylprop-2-enoate is sourced from PubChem (CID 159839521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).