bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine)

C74H120N6O31Si8 — CID 160587949

IUPACbis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine)
SMILESCO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.COc1ccc2oc3ccc4c(=O)n(CCC[Si](OC)(OC)OC)c(=O)c5ccc(c2c1)c3c45.COc1ccc2oc3ccc4c(=O)oc(=O)c5ccc(c2c1)c3c45.O=[Si]=O.O=[Si]=O
InChIInChI=1S/C25H25NO7Si.C19H10O5.5C6H17NO3Si.2O2Si/c1-29-15-6-10-20-19(14-15)16-7-8-17-22-18(9-11-21(33-20)23(16)22)25(28)26(24(17)27)12-5-13-34(30-2,31-3)32-4;1-22-9-2-6-14-13(8-9)10-3-4-11-16-12(19(21)24-18(11)20)5-7-15(23-14)17(10)16;5*1-8-11(9-2,10-3)6-4-5-7;2*1-3-2/h6-11,14H,5,12-13H2,1-4H3;2-8H,1H3;5*4-7H2,1-3H3;;
InChIKeyRCQCGXMPBSWTGW-UHFFFAOYSA-N
MW1814.47 g/mol
LogP7.61
Rot. Bonds39

About bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine)

bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine) (PubChem CID 160587949) has the molecular formula C74H120N6O31Si8 and a molecular weight of 1814.47 g/mol. Its IUPAC name is bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine).

Molecular Properties

Compound Namebis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine)
PubChem CID160587949
Molecular FormulaC74H120N6O31Si8
Molecular Weight1814.47 g/mol
Exact Mass1812.62
IUPAC Namebis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine)
SMILESCO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.COc1ccc2oc3ccc4c(=O)n(CCC[Si](OC)(OC)OC)c(=O)c5ccc(c2c1)c3c45.COc1ccc2oc3ccc4c(=O)oc(=O)c5ccc(c2c1)c3c45.O=[Si]=O.O=[Si]=O
InChIInChI=1S/C25H25NO7Si.C19H10O5.5C6H17NO3Si.2O2Si/c1-29-15-6-10-20-19(14-15)16-7-8-17-22-18(9-11-21(33-20)23(16)22)25(28)26(24(17)27)12-5-13-34(30-2,31-3)32-4;1-22-9-2-6-14-13(8-9)10-3-4-11-16-12(19(21)24-18(11)20)5-7-15(23-14)17(10)16;5*1-8-11(9-2,10-3)6-4-5-7;2*1-3-2/h6-11,14H,5,12-13H2,1-4H3;2-8H,1H3;5*4-7H2,1-3H3;;
InChIKeyRCQCGXMPBSWTGW-UHFFFAOYSA-N
XLogP7.61
TPSA495.61 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds39
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.47
LogP ≤ 57.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine) with MolForge

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Related Compounds

3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-N-(3-trimethoxysilylpropyl)propanamide;bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;tetrakis(3-trimethoxysilylpropan-1-amine)
CID 161324445
butan-1-amine;3-butyl-6-methoxy-1H-quinazoline-2,4-dione;6-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 158897093
3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one
CID 22484801
3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione
CID 10082863
2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride
CID 173089205
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one
CID 22484625
2-(4-methyl-13,15-dioxo-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-14-yl)acetic acid
CID 164906831
3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione
CID 131857932
4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-13,15-dioxo-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-14-yl]propoxy]-2,6-dimethylbenzaldehyde
CID 171058434
3-(3-methoxycarbazol-9-yl)propan-1-amine
CID 153297207
2-(8-methoxydibenzofuran-2-yl)sulfanylacetamide
CID 11536559

Frequently Asked Questions

What is the IUPAC name of bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine)?
The IUPAC name of bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine) (CID 160587949) is bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine).
What is the SMILES notation for bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine)?
The canonical SMILES for bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine) is CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.COc1ccc2oc3ccc4c(=O)n(CCC[Si](OC)(OC)OC)c(=O)c5ccc(c2c1)c3c45.COc1ccc2oc3ccc4c(=O)oc(=O)c5ccc(c2c1)c3c45.O=[Si]=O.O=[Si]=O.
What is the InChIKey of bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine)?
The InChIKey is RCQCGXMPBSWTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO7Si.C19H10O5.5C6H17NO3Si.2O2Si/c1-29-15-6-10-20-19(14-15)16-7-8-17-22-18(9-11-21(33-20)23(16)22)25(28)26(24(17)27)12-5-13-34(30-2,31-3)32-4;1-22-9-2-6-14-13(8-9)10-3-4-11-16-12(19(21)24-18(11)20)5-7-15(23-14)17(10)16;5*1-8-11(9-2,10-3)6-4-5-7;2*1-3-2/h6-11,14H,5,12-13H2,1-4H3;2-8H,1H3;5*4-7H2,1-3H3;;.
What are the key properties of bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine)?
bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine) has a molecular weight of 1814.47 g/mol, XLogP of 7.61, 39 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dioxosilane);4-methoxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;4-methoxy-14-(3-trimethoxysilylpropyl)-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione;pentakis(3-trimethoxysilylpropan-1-amine) is sourced from PubChem (CID 160587949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).