diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate

C18H36O5Si — CID 19904689

IUPACdiethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
SMILESCCOC(=O)C(CCCC(C)O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C18H36O5Si/c1-9-21-16(19)15(17(20)22-10-2)13-11-12-14(3)23-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyGFLZLEPSJDUOPS-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.31
Rot. Bonds10

About diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate

diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate (PubChem CID 19904689) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
PubChem CID19904689
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Namediethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
SMILESCCOC(=O)C(CCCC(C)O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C18H36O5Si/c1-9-21-16(19)15(17(20)22-10-2)13-11-12-14(3)23-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyGFLZLEPSJDUOPS-UHFFFAOYSA-N
XLogP4.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 11688270
ethyl (2R,4S,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylheptanoate
CID 154722516
Decanoic acid, 2,2-dimethyl-3-[(trimethylsilyl)oxy]-, methyl ester
CID 11109446
methyl 2-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 24949357
2-[(2S,3S,4S,5R)-3,5-dimethyl-6-oxo-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 42600667
ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate
CID 134839543
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134919061
ethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134919062
ethyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134927880
ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134927881
[(3R,4S,5R)-2,4-dimethyl-7-oxo-3-triethylsilyloxynonan-5-yl] acetate
CID 134969676
methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 135013074

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
The IUPAC name of diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate (CID 19904689) is diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate.
What is the SMILES notation for diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
The canonical SMILES for diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate is CCOC(=O)C(CCCC(C)O[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
The InChIKey is GFLZLEPSJDUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-9-21-16(19)15(17(20)22-10-2)13-11-12-14(3)23-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3.
What are the key properties of diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate has a molecular weight of 360.57 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate is sourced from PubChem (CID 19904689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).