N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide

C15H31NO4Si — CID 142656935

IUPACN-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide
SMILESCCO[Si](CCC(=O)/N=C(\C)CC(C)C)(OCC)OCC
InChIInChI=1S/C15H31NO4Si/c1-7-18-21(19-8-2,20-9-3)11-10-15(17)16-14(6)12-13(4)5/h13H,7-12H2,1-6H3/b16-14+
InChIKeyOOGOGAUFSWYRBB-JQIJEIRASA-N
MW317.50 g/mol
LogP3.46
Rot. Bonds11

About N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide

N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide (PubChem CID 142656935) has the molecular formula C15H31NO4Si and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide
PubChem CID142656935
Molecular FormulaC15H31NO4Si
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC NameN-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide
SMILESCCO[Si](CCC(=O)/N=C(\C)CC(C)C)(OCC)OCC
InChIInChI=1S/C15H31NO4Si/c1-7-18-21(19-8-2,20-9-3)11-10-15(17)16-14(6)12-13(4)5/h13H,7-12H2,1-6H3/b16-14+
InChIKeyOOGOGAUFSWYRBB-JQIJEIRASA-N
XLogP3.46
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine
CID 174412172
ethyl acetate;3-triethoxysilylpropanoic acid
CID 175314262
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
3-sulfanylidene-1-triethoxysilylnonan-4-one
CID 89287426
triethoxy(38-isocyanatooctatriacontyl)silane
CID 87685744
triethoxy(30-isocyanatotriacontyl)silane
CID 87683947
triethoxy(33-isocyanatotritriacontyl)silane
CID 87684827
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one
CID 87594295
1-triethoxysilylpropan-2-one
CID 174838810
30-triethoxysilyltriacontanoic acid
CID 87687022

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide?
The IUPAC name of N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide (CID 142656935) is N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide.
What is the SMILES notation for N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide?
The canonical SMILES for N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide is CCO[Si](CCC(=O)/N=C(\C)CC(C)C)(OCC)OCC.
What is the InChIKey of N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide?
The InChIKey is OOGOGAUFSWYRBB-JQIJEIRASA-N. The full InChI is InChI=1S/C15H31NO4Si/c1-7-18-21(19-8-2,20-9-3)11-10-15(17)16-14(6)12-13(4)5/h13H,7-12H2,1-6H3/b16-14+.
What are the key properties of N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide?
N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide has a molecular weight of 317.50 g/mol, XLogP of 3.46, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide is sourced from PubChem (CID 142656935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).