1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane

C12H25NO4Si — CID 151075828

IUPAC1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane
SMILESCCO[Si]12CCCOCC(CN(C)CCCO1)O2
InChIInChI=1S/C12H25NO4Si/c1-3-15-18-9-5-7-14-11-12(17-18)10-13(2)6-4-8-16-18/h12H,3-11H2,1-2H3
InChIKeyMJBWQEZCOOWNAV-UHFFFAOYSA-N
MW275.42 g/mol
LogP1.12
Rot. Bonds2

About 1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane

1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane (PubChem CID 151075828) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane.

Molecular Properties

Compound Name1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane
PubChem CID151075828
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Name1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane
SMILESCCO[Si]12CCCOCC(CN(C)CCCO1)O2
InChIInChI=1S/C12H25NO4Si/c1-3-15-18-9-5-7-14-11-12(17-18)10-13(2)6-4-8-16-18/h12H,3-11H2,1-2H3
InChIKeyMJBWQEZCOOWNAV-UHFFFAOYSA-N
XLogP1.12
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane
CID 150977084
6-ethyl-1-methoxy-3-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane
CID 150485048
2,2-diethoxy-6-methyl-1,6,2-oxazasilocane
CID 140723407
2-ethoxy-2,7-dimethyl-1,7,2-oxazasilonane
CID 140723491
2,2-diethoxy-8-methyl-1,8,2-oxazasilecane
CID 140723416
4-methyl-2-propyl-1,4-oxazepane
CID 165407409
2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine
CID 150288167
N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 140762840
10,21-dimethyl-1,3,6,14,17-pentaoxa-10,21-diazacyclotetracosane
CID 18341079
2-[(4-methyl-1,4-oxazepan-6-yl)oxy]ethanol
CID 118230256
1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine
CID 67462069
7-methyl-1,4,7-dioxazecane
CID 59020799

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane?
The IUPAC name of 1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane (CID 151075828) is 1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane.
What is the SMILES notation for 1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane?
The canonical SMILES for 1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane is CCO[Si]12CCCOCC(CN(C)CCCO1)O2.
What is the InChIKey of 1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane?
The InChIKey is MJBWQEZCOOWNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-3-15-18-9-5-7-14-11-12(17-18)10-13(2)6-4-8-16-18/h12H,3-11H2,1-2H3.
What are the key properties of 1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane?
1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane has a molecular weight of 275.42 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane is sourced from PubChem (CID 151075828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).