3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate

C16H34O5Si — CID 23527398

IUPAC3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
SMILESCCCOCC(CC(C)C(=O)OCCC[Si](C)(C)O)OCC
InChIInChI=1S/C16H34O5Si/c1-6-9-19-13-15(20-7-2)12-14(3)16(17)21-10-8-11-22(4,5)18/h14-15,18H,6-13H2,1-5H3
InChIKeyPUKYUUOYMDVLPZ-UHFFFAOYSA-N
MW334.53 g/mol
LogP2.97
Rot. Bonds13

About 3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate

3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate (PubChem CID 23527398) has the molecular formula C16H34O5Si and a molecular weight of 334.53 g/mol. Its IUPAC name is 3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate.

Molecular Properties

Compound Name3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
PubChem CID23527398
Molecular FormulaC16H34O5Si
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Name3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
SMILESCCCOCC(CC(C)C(=O)OCCC[Si](C)(C)O)OCC
InChIInChI=1S/C16H34O5Si/c1-6-9-19-13-15(20-7-2)12-14(3)16(17)21-10-8-11-22(4,5)18/h14-15,18H,6-13H2,1-5H3
InChIKeyPUKYUUOYMDVLPZ-UHFFFAOYSA-N
XLogP2.97
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10729014
[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 25108327
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 9999501
3-[Hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 21136752
3-[[3-(4-Ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527397
3-Trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527399
3-Trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
CID 23594393
methyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate
CID 67078210
Methyl 5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate
CID 67078211
methyl (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylate
CID 67078213
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid
CID 67078388
5-[Tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid
CID 67078389

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The IUPAC name of 3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate (CID 23527398) is 3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate.
What is the SMILES notation for 3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The canonical SMILES for 3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate is CCCOCC(CC(C)C(=O)OCCC[Si](C)(C)O)OCC.
What is the InChIKey of 3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The InChIKey is PUKYUUOYMDVLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O5Si/c1-6-9-19-13-15(20-7-2)12-14(3)16(17)21-10-8-11-22(4,5)18/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate has a molecular weight of 334.53 g/mol, XLogP of 2.97, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate is sourced from PubChem (CID 23527398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).