1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol

C30H61N3O10Si2 — CID 10508740

IUPAC1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol
SMILESCC1CN2CC(C)O[Si](CCCOCC(O)CNCC(O)COCCC[Si]34OC(C)CN(CC(C)O3)CC(C)O4)(O1)OC(C)C2
InChIInChI=1S/C30H61N3O10Si2/c1-23-15-32-16-24(2)39-44(38-23,40-25(3)17-32)11-7-9-36-21-29(34)13-31-14-30(35)22-37-10-8-12-45-41-26(4)18-33(19-27(5)42-45)20-28(6)43-45/h23-31,34-35H,7-22H2,1-6H3
InChIKeyGHNRVMZSBFQWSZ-UHFFFAOYSA-N
MW680.00 g/mol
LogP1.08
Rot. Bonds16

About 1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol

1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol (PubChem CID 10508740) has the molecular formula C30H61N3O10Si2 and a molecular weight of 680.00 g/mol. Its IUPAC name is 1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol
PubChem CID10508740
Molecular FormulaC30H61N3O10Si2
Molecular Weight680.00 g/mol
Exact Mass679.39
IUPAC Name1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol
SMILESCC1CN2CC(C)O[Si](CCCOCC(O)CNCC(O)COCCC[Si]34OC(C)CN(CC(C)O3)CC(C)O4)(O1)OC(C)C2
InChIInChI=1S/C30H61N3O10Si2/c1-23-15-32-16-24(2)39-44(38-23,40-25(3)17-32)11-7-9-36-21-29(34)13-31-14-30(35)22-37-10-8-12-45-41-26(4)18-33(19-27(5)42-45)20-28(6)43-45/h23-31,34-35H,7-22H2,1-6H3
InChIKeyGHNRVMZSBFQWSZ-UHFFFAOYSA-N
XLogP1.08
TPSA132.81 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.00
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol with MolForge

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Related Compounds

3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol
CID 140868968
1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol
CID 89205374
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol
CID 113478776
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412169
1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-hexoxypropan-2-ol
CID 60909796
1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60909797
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol?
The IUPAC name of 1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol (CID 10508740) is 1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol is CC1CN2CC(C)O[Si](CCCOCC(O)CNCC(O)COCCC[Si]34OC(C)CN(CC(C)O3)CC(C)O4)(O1)OC(C)C2.
What is the InChIKey of 1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol?
The InChIKey is GHNRVMZSBFQWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61N3O10Si2/c1-23-15-32-16-24(2)39-44(38-23,40-25(3)17-32)11-7-9-36-21-29(34)13-31-14-30(35)22-37-10-8-12-45-41-26(4)18-33(19-27(5)42-45)20-28(6)43-45/h23-31,34-35H,7-22H2,1-6H3.
What are the key properties of 1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol?
1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol has a molecular weight of 680.00 g/mol, XLogP of 1.08, 16 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol is sourced from PubChem (CID 10508740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).