[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane

C153H189N3O33Si2 — CID 158219609

IUPAC[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane
SMILESCCCCNC(=O)Oc1ccc2ccc(OC(CCCC)NO)c(Cc3c(OCC4CO4)ccc4ccc(OCC5CO5)cc34)c2c1.CCCCNC(=O)Oc1ccc2ccc(OCC3CO3)c(Cc3c(OCC4CO4)ccc4ccc(OCC5CO5)cc34)c2c1.CCCCOc1ccc2ccc(OCC3CO3)c(Cc3c(OCCC[Si](OCC)(OCC)OCC)ccc4ccc(OCC5CO5)cc34)c2c1.CCCCOc1ccc2ccc(OCCCC)c(Cc3c(OCCC[Si](OCC)(OCC)OCC)ccc4ccc(OCC5CO5)cc34)c2c1
InChIInChI=1S/C41H56O8Si.C40H52O9Si.C37H44N2O8.C35H37NO8/c1-6-11-22-42-33-18-14-31-16-20-40(43-23-12-7-2)38(36(31)26-33)28-39-37-27-34(45-29-35-30-46-35)19-15-32(37)17-21-41(39)44-24-13-25-50(47-8-3,48-9-4)49-10-5;1-5-9-19-41-31-15-11-29-14-18-40(46-28-34-27-45-34)38(35(29)22-31)24-37-36-23-32(43-25-33-26-44-33)16-12-30(36)13-17-39(37)42-20-10-21-50(47-6-2,48-7-3)49-8-4;1-3-5-7-36(39-41)47-35-15-11-25-9-13-27(46-37(40)38-16-6-4-2)18-31(25)33(35)19-32-30-17-26(42-20-28-21-43-28)12-8-24(30)10-14-34(32)45-23-29-22-44-29;1-2-3-12-36-35(37)44-25-9-5-23-7-11-34(43-21-28-19-41-28)32(30(23)14-25)15-31-29-13-24(38-16-26-17-39-26)8-4-22(29)6-10-33(31)42-20-27-18-40-27/h14-21,26-27,35H,6-13,22-25,28-30H2,1-5H3;11-18,22-23,33-34H,5-10,19-21,24-28H2,1-4H3;8-15,17-18,28-29,36,39,41H,3-7,16,19-23H2,1-2H3,(H,38,40);4-11,13-14,26-28H,2-3,12,15-21H2,1H3,(H,36,37)
InChIKeyGDBUYBOJSMWNDU-UHFFFAOYSA-N
MW2654.35 g/mol
LogP30.38
Rot. Bonds80

About [8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane

[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane (PubChem CID 158219609) has the molecular formula C153H189N3O33Si2 and a molecular weight of 2654.35 g/mol. Its IUPAC name is [8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane.

Molecular Properties

Compound Name[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane
PubChem CID158219609
Molecular FormulaC153H189N3O33Si2
Molecular Weight2654.35 g/mol
Exact Mass2652.27
IUPAC Name[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane
SMILESCCCCNC(=O)Oc1ccc2ccc(OC(CCCC)NO)c(Cc3c(OCC4CO4)ccc4ccc(OCC5CO5)cc34)c2c1.CCCCNC(=O)Oc1ccc2ccc(OCC3CO3)c(Cc3c(OCC4CO4)ccc4ccc(OCC5CO5)cc34)c2c1.CCCCOc1ccc2ccc(OCC3CO3)c(Cc3c(OCCC[Si](OCC)(OCC)OCC)ccc4ccc(OCC5CO5)cc34)c2c1.CCCCOc1ccc2ccc(OCCCC)c(Cc3c(OCCC[Si](OCC)(OCC)OCC)ccc4ccc(OCC5CO5)cc34)c2c1
InChIInChI=1S/C41H56O8Si.C40H52O9Si.C37H44N2O8.C35H37NO8/c1-6-11-22-42-33-18-14-31-16-20-40(43-23-12-7-2)38(36(31)26-33)28-39-37-27-34(45-29-35-30-46-35)19-15-32(37)17-21-41(39)44-24-13-25-50(47-8-3,48-9-4)49-10-5;1-5-9-19-41-31-15-11-29-14-18-40(46-28-34-27-45-34)38(35(29)22-31)24-37-36-23-32(43-25-33-26-44-33)16-12-30(36)13-17-39(37)42-20-10-21-50(47-6-2,48-7-3)49-8-4;1-3-5-7-36(39-41)47-35-15-11-25-9-13-27(46-37(40)38-16-6-4-2)18-31(25)33(35)19-32-30-17-26(42-20-28-21-43-28)12-8-24(30)10-14-34(32)45-23-29-22-44-29;1-2-3-12-36-35(37)44-25-9-5-23-7-11-34(43-21-28-19-41-28)32(30(23)14-25)15-31-29-13-24(38-16-26-17-39-26)8-4-22(29)6-10-33(31)42-20-27-18-40-27/h14-21,26-27,35H,6-13,22-25,28-30H2,1-5H3;11-18,22-23,33-34H,5-10,19-21,24-28H2,1-4H3;8-15,17-18,28-29,36,39,41H,3-7,16,19-23H2,1-2H3,(H,38,40);4-11,13-14,26-28H,2-3,12,15-21H2,1H3,(H,36,37)
InChIKeyGDBUYBOJSMWNDU-UHFFFAOYSA-N
XLogP30.38
TPSA393.76 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds80
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002654.35
LogP ≤ 530.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane with MolForge

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Related Compounds

[1-[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[2-(butylcarbamoyloxy)-3-prop-2-enoxypropoxy]naphthalen-2-yl]oxy-3-prop-2-enoxypropan-2-yl] N-butylcarbamate
CID 118345094
triethoxy-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]silane
CID 123674102
triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane
CID 90233850
3-butyl-1-(butylcarbamoyl)-1-[4-(oxiran-2-ylmethoxy)phenyl]urea
CID 118013689
2-[[4-[2,2-bis(4-butoxyphenyl)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 118013692
2-[2-[1-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(cyclopropylmethoxy)naphthalen-2-yl]ethyl]oxirane
CID 155263659
6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate
CID 70022186
5-(3-triethoxysilylpropylcarbamoyloxy)pentyl (E)-3-(6-heptoxynaphthalen-2-yl)prop-2-enoate
CID 70023865
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
[3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate
CID 88757546
2-[[2-dodecyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 141160352

Frequently Asked Questions

What is the IUPAC name of [8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane?
The IUPAC name of [8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane (CID 158219609) is [8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane.
What is the SMILES notation for [8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane?
The canonical SMILES for [8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane is CCCCNC(=O)Oc1ccc2ccc(OC(CCCC)NO)c(Cc3c(OCC4CO4)ccc4ccc(OCC5CO5)cc34)c2c1.CCCCNC(=O)Oc1ccc2ccc(OCC3CO3)c(Cc3c(OCC4CO4)ccc4ccc(OCC5CO5)cc34)c2c1.CCCCOc1ccc2ccc(OCC3CO3)c(Cc3c(OCCC[Si](OCC)(OCC)OCC)ccc4ccc(OCC5CO5)cc34)c2c1.CCCCOc1ccc2ccc(OCCCC)c(Cc3c(OCCC[Si](OCC)(OCC)OCC)ccc4ccc(OCC5CO5)cc34)c2c1.
What is the InChIKey of [8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane?
The InChIKey is GDBUYBOJSMWNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H56O8Si.C40H52O9Si.C37H44N2O8.C35H37NO8/c1-6-11-22-42-33-18-14-31-16-20-40(43-23-12-7-2)38(36(31)26-33)28-39-37-27-34(45-29-35-30-46-35)19-15-32(37)17-21-41(39)44-24-13-25-50(47-8-3,48-9-4)49-10-5;1-5-9-19-41-31-15-11-29-14-18-40(46-28-34-27-45-34)38(35(29)22-31)24-37-36-23-32(43-25-33-26-44-33)16-12-30(36)13-17-39(37)42-20-10-21-50(47-6-2,48-7-3)49-8-4;1-3-5-7-36(39-41)47-35-15-11-25-9-13-27(46-37(40)38-16-6-4-2)18-31(25)33(35)19-32-30-17-26(42-20-28-21-43-28)12-8-24(30)10-14-34(32)45-23-29-22-44-29;1-2-3-12-36-35(37)44-25-9-5-23-7-11-34(43-21-28-19-41-28)32(30(23)14-25)15-31-29-13-24(38-16-26-17-39-26)8-4-22(29)6-10-33(31)42-20-27-18-40-27/h14-21,26-27,35H,6-13,22-25,28-30H2,1-5H3;11-18,22-23,33-34H,5-10,19-21,24-28H2,1-4H3;8-15,17-18,28-29,36,39,41H,3-7,16,19-23H2,1-2H3,(H,38,40);4-11,13-14,26-28H,2-3,12,15-21H2,1H3,(H,36,37).
What are the key properties of [8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane?
[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane has a molecular weight of 2654.35 g/mol, XLogP of 30.38, 80 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[1-(hydroxyamino)pentoxy]naphthalen-2-yl] N-butylcarbamate;[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl] N-butylcarbamate;3-[1-[[7-butoxy-2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane;3-[1-[(2,7-dibutoxynaphthalen-1-yl)methyl]-7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropyl-triethoxysilane is sourced from PubChem (CID 158219609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).