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

C16H34O7Si — CID 21136752

IUPAC3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
SMILESCCCOCC(CC(C)C(=O)OCCC[Si](O)(OC)OC)OCC
InChIInChI=1S/C16H34O7Si/c1-6-9-21-13-15(22-7-2)12-14(3)16(17)23-10-8-11-24(18,19-4)20-5/h14-15,18H,6-13H2,1-5H3
InChIKeyDXSSNBHIQPOULD-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.00
Rot. Bonds15

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

3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate (PubChem CID 21136752) has the molecular formula C16H34O7Si and a molecular weight of 366.53 g/mol. Its IUPAC name is 3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate.

Molecular Properties

Compound Name3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
PubChem CID21136752
Molecular FormulaC16H34O7Si
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
SMILESCCCOCC(CC(C)C(=O)OCCC[Si](O)(OC)OC)OCC
InChIInChI=1S/C16H34O7Si/c1-6-9-21-13-15(22-7-2)12-14(3)16(17)23-10-8-11-24(18,19-4)20-5/h14-15,18H,6-13H2,1-5H3
InChIKeyDXSSNBHIQPOULD-UHFFFAOYSA-N
XLogP2.00
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 25108327
3-[[3-(4-Ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527397
3-[Hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527398
3-Trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527399
3-Trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
CID 23594393
[1-Methoxy-5-(1-methoxypropan-2-yloxy)-4-methyl-5-oxopentan-2-yl] 5-methoxy-2-methyl-4-(2-methylpropanoyloxy)pentanoate
CID 126725725
Propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726810
Propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate
CID 167430533
methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate
CID 102361488

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The IUPAC name of 3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate (CID 21136752) is 3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate.
What is the SMILES notation for 3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The canonical SMILES for 3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate is CCCOCC(CC(C)C(=O)OCCC[Si](O)(OC)OC)OCC.
What is the InChIKey of 3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
The InChIKey is DXSSNBHIQPOULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O7Si/c1-6-9-21-13-15(22-7-2)12-14(3)16(17)23-10-8-11-24(18,19-4)20-5/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?
3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate has a molecular weight of 366.53 g/mol, XLogP of 2.00, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate is sourced from PubChem (CID 21136752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).