butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine

C38H92N2O11Si3 — CID 167553649

IUPACbutyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine
SMILESCCC(=O)OC.CCCCCC.CCCCCCNCCC[Si](OC)(OC)OC.CCCC[Si](OC)(OC)OC.CCCNCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H29NO3Si.C9H23NO3Si.C7H18O3Si.C6H14.C4H8O2/c1-5-6-7-8-10-13-11-9-12-17(14-2,15-3)16-4;1-5-7-10-8-6-9-14(11-2,12-3)13-4;1-5-6-7-11(8-2,9-3)10-4;1-3-5-6-4-2;1-3-4(5)6-2/h13H,5-12H2,1-4H3;10H,5-9H2,1-4H3;5-7H2,1-4H3;3-6H2,1-2H3;3H2,1-2H3
InChIKeyCSNXOYTXHBBNOR-UHFFFAOYSA-N
MW837.41 g/mol
LogP8.50
Rot. Bonds31

About butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine

butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine (PubChem CID 167553649) has the molecular formula C38H92N2O11Si3 and a molecular weight of 837.41 g/mol. Its IUPAC name is butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine.

Molecular Properties

Compound Namebutyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine
PubChem CID167553649
Molecular FormulaC38H92N2O11Si3
Molecular Weight837.41 g/mol
Exact Mass836.60
IUPAC Namebutyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine
SMILESCCC(=O)OC.CCCCCC.CCCCCCNCCC[Si](OC)(OC)OC.CCCC[Si](OC)(OC)OC.CCCNCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H29NO3Si.C9H23NO3Si.C7H18O3Si.C6H14.C4H8O2/c1-5-6-7-8-10-13-11-9-12-17(14-2,15-3)16-4;1-5-7-10-8-6-9-14(11-2,12-3)13-4;1-5-6-7-11(8-2,9-3)10-4;1-3-5-6-4-2;1-3-4(5)6-2/h13H,5-12H2,1-4H3;10H,5-9H2,1-4H3;5-7H2,1-4H3;3-6H2,1-2H3;3H2,1-2H3
InChIKeyCSNXOYTXHBBNOR-UHFFFAOYSA-N
XLogP8.50
TPSA133.43 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds31
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500837.41
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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

N-(2-trimethoxysilylethyl)hexan-1-amine
CID 87738268
3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine
CID 171623611
methyl 4-(decylamino)butanoate;hydrochloride
CID 71755516
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989
N-(3-trimethoxysilylpropyl)octanamide
CID 71362207
2-[3-(hexadecylamino)propanoyloxy]propyl 6-(3-trimethoxysilylpropylamino)hexanoate
CID 158365217
2-(hexadecylamino)ethyl propanoate
CID 174467730
methyl 2-(hexylamino)acetate;hydrochloride
CID 141426324
N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine
CID 171623472
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
N-propylhexadecan-1-amine
CID 18792182
3-(10-trimethoxysilyldecylamino)propanoic acid
CID 151748787

Frequently Asked Questions

What is the IUPAC name of butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine?
The IUPAC name of butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine (CID 167553649) is butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine.
What is the SMILES notation for butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine?
The canonical SMILES for butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine is CCC(=O)OC.CCCCCC.CCCCCCNCCC[Si](OC)(OC)OC.CCCC[Si](OC)(OC)OC.CCCNCCC[Si](OC)(OC)OC.
What is the InChIKey of butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine?
The InChIKey is CSNXOYTXHBBNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO3Si.C9H23NO3Si.C7H18O3Si.C6H14.C4H8O2/c1-5-6-7-8-10-13-11-9-12-17(14-2,15-3)16-4;1-5-7-10-8-6-9-14(11-2,12-3)13-4;1-5-6-7-11(8-2,9-3)10-4;1-3-5-6-4-2;1-3-4(5)6-2/h13H,5-12H2,1-4H3;10H,5-9H2,1-4H3;5-7H2,1-4H3;3-6H2,1-2H3;3H2,1-2H3.
What are the key properties of butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine?
butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine has a molecular weight of 837.41 g/mol, XLogP of 8.50, 31 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine is sourced from PubChem (CID 167553649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).