4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine

C17H37NO2Si2 — CID 173419870

IUPAC4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine
SMILESC[SiH](C)C1(C2([SiH](C)CCCCN)CCCCO2)CCCCO1
InChIInChI=1S/C17H37NO2Si2/c1-21(2)16(10-4-7-13-19-16)17(11-5-8-14-20-17)22(3)15-9-6-12-18/h21-22H,4-15,18H2,1-3H3
InChIKeyDYFJDARTDCBKIC-UHFFFAOYSA-N
MW343.66 g/mol
LogP3.03
Rot. Bonds7

About 4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine

4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine (PubChem CID 173419870) has the molecular formula C17H37NO2Si2 and a molecular weight of 343.66 g/mol. Its IUPAC name is 4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine.

Molecular Properties

Compound Name4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine
PubChem CID173419870
Molecular FormulaC17H37NO2Si2
Molecular Weight343.66 g/mol
Exact Mass343.24
IUPAC Name4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine
SMILESC[SiH](C)C1(C2([SiH](C)CCCCN)CCCCO2)CCCCO1
InChIInChI=1S/C17H37NO2Si2/c1-21(2)16(10-4-7-13-19-16)17(11-5-8-14-20-17)22(3)15-9-6-12-18/h21-22H,4-15,18H2,1-3H3
InChIKeyDYFJDARTDCBKIC-UHFFFAOYSA-N
XLogP3.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.66
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane
CID 173269411
hydron;methyl-[2-(2-methylsilyloxan-2-yl)oxan-2-yl]-octylsilane
CID 174990837
3-[[2-[[2-[2-[ethenyl(methyl)silyl]oxan-2-yl]oxan-2-yl]-dimethylsilyl]oxan-2-yl]-methylsilyl]propan-1-amine
CID 173351569
dimethyl-[2-(2-silyloxan-2-yl)oxan-2-yl]silane;hydron
CID 175096926
N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine
CID 123525590
2,2-dimethyloxane;methanamine
CID 144836185
[2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane
CID 173177427
1-(2-dimethylsilyloxan-2-yl)propane-1-thiol
CID 173222317
3-(2-triethylsilyloxan-2-yl)propan-1-amine
CID 175003667
(2-butyloxan-2-yl)-dimethylsilane
CID 123761011
2-dimethylsilyloxane-2-thiol
CID 123513196
5-[methyl(oxan-2-yl)silyl]pentan-1-amine
CID 123221255

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine?
The IUPAC name of 4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine (CID 173419870) is 4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine.
What is the SMILES notation for 4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine?
The canonical SMILES for 4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine is C[SiH](C)C1(C2([SiH](C)CCCCN)CCCCO2)CCCCO1.
What is the InChIKey of 4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine?
The InChIKey is DYFJDARTDCBKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2Si2/c1-21(2)16(10-4-7-13-19-16)17(11-5-8-14-20-17)22(3)15-9-6-12-18/h21-22H,4-15,18H2,1-3H3.
What are the key properties of 4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine?
4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine has a molecular weight of 343.66 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine is sourced from PubChem (CID 173419870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).