3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

C26H52N2O6Si2 — CID 123934634

IUPAC3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
SMILESCC1CN2CC(C)O[Si](CCCCCCCC[Si]34OC(C)CN(CC(C)O3)CC(C)O4)(O1)OC(C)C2
InChIInChI=1S/C26H52N2O6Si2/c1-21-15-27-16-22(2)30-35(29-21,31-23(3)17-27)13-11-9-7-8-10-12-14-36-32-24(4)18-28(19-25(5)33-36)20-26(6)34-36/h21-26H,7-20H2,1-6H3
InChIKeyRZDLBBALPCDJKL-UHFFFAOYSA-N
MW544.88 g/mol
LogP4.29
Rot. Bonds9

About 3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane (PubChem CID 123934634) has the molecular formula C26H52N2O6Si2 and a molecular weight of 544.88 g/mol. Its IUPAC name is 3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
PubChem CID123934634
Molecular FormulaC26H52N2O6Si2
Molecular Weight544.88 g/mol
Exact Mass544.34
IUPAC Name3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
SMILESCC1CN2CC(C)O[Si](CCCCCCCC[Si]34OC(C)CN(CC(C)O3)CC(C)O4)(O1)OC(C)C2
InChIInChI=1S/C26H52N2O6Si2/c1-21-15-27-16-22(2)30-35(29-21,31-23(3)17-27)13-11-9-7-8-10-12-14-36-32-24(4)18-28(19-25(5)33-36)20-26(6)34-36/h21-26H,7-20H2,1-6H3
InChIKeyRZDLBBALPCDJKL-UHFFFAOYSA-N
XLogP4.29
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.88
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane with MolForge

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Related Compounds

3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine
CID 125472841
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
N'-[3-(3,7-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]ethane-1,2-diamine
CID 59936779
3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
CID 176899824
(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
CID 124770176
3,7,10-Trimethylsilatrane, d
CID 6327713
trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane
CID 18730823
1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
CID 59936764
triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane
CID 59936782
(3S,7S)-3,7,10-trimethyl-1-prop-2-enyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
CID 100933127
bis(2-methyloxirane);(2R)-propane-1,2-diol;hydrate
CID 159169454
3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol
CID 140868968

Frequently Asked Questions

What is the IUPAC name of 3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The IUPAC name of 3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane (CID 123934634) is 3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
What is the SMILES notation for 3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The canonical SMILES for 3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane is CC1CN2CC(C)O[Si](CCCCCCCC[Si]34OC(C)CN(CC(C)O3)CC(C)O4)(O1)OC(C)C2.
What is the InChIKey of 3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The InChIKey is RZDLBBALPCDJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O6Si2/c1-21-15-27-16-22(2)30-35(29-21,31-23(3)17-27)13-11-9-7-8-10-12-14-36-32-24(4)18-28(19-25(5)33-36)20-26(6)34-36/h21-26H,7-20H2,1-6H3.
What are the key properties of 3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane has a molecular weight of 544.88 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane is sourced from PubChem (CID 123934634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).