3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate

C19H40O8Si2 — CID 167678017

IUPAC3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate
SMILESCO[Si](C)(CCCCC(=O)OCCCOC(=O)CCCC[Si](C)(OC)OC)OC
InChIInChI=1S/C19H40O8Si2/c1-22-28(5,23-2)16-9-7-12-18(20)26-14-11-15-27-19(21)13-8-10-17-29(6,24-3)25-4/h7-17H2,1-6H3
InChIKeyUPLYZINIUKQIRE-UHFFFAOYSA-N
MW452.69 g/mol
LogP3.53
Rot. Bonds18

About 3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate

3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate (PubChem CID 167678017) has the molecular formula C19H40O8Si2 and a molecular weight of 452.69 g/mol. Its IUPAC name is 3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate.

Molecular Properties

Compound Name3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate
PubChem CID167678017
Molecular FormulaC19H40O8Si2
Molecular Weight452.69 g/mol
Exact Mass452.23
IUPAC Name3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate
SMILESCO[Si](C)(CCCCC(=O)OCCCOC(=O)CCCC[Si](C)(OC)OC)OC
InChIInChI=1S/C19H40O8Si2/c1-22-28(5,23-2)16-9-7-12-18(20)26-14-11-15-27-19(21)13-8-10-17-29(6,24-3)25-4/h7-17H2,1-6H3
InChIKeyUPLYZINIUKQIRE-UHFFFAOYSA-N
XLogP3.53
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

5-[dimethoxy(methyl)silyl]pentanamide
CID 162121035
3-[5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoyloxy]propyl 5-(dimethylsilyloxy-methyl-propan-2-yloxysilyl)pentanoate
CID 167678018
3-(2-methylprop-2-enoyloxy)propyl 4-[[dimethoxy(methyl)silyl]methylamino]-4-oxobutanoate
CID 158930911
2-ethoxyethyl 5-trimethoxysilylpentanoate
CID 158197775
3-hexadecanoyloxypropyl heptadecanoate
CID 54138820
2-methoxyethyl 4-trimethoxysilylbutanoate
CID 58986420
2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate
CID 161472912
propyl 4-trimethoxysilylbutanoate
CID 174313237
dibutyl heptadecanedioate
CID 87117348
2-methoxyethyl 5-methoxypentanoate
CID 58454735
pentyl hexanoate
CID 10886
bis(3-propoxypropyl) hexanedioate
CID 174802487

Frequently Asked Questions

What is the IUPAC name of 3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate?
The IUPAC name of 3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate (CID 167678017) is 3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate.
What is the SMILES notation for 3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate?
The canonical SMILES for 3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate is CO[Si](C)(CCCCC(=O)OCCCOC(=O)CCCC[Si](C)(OC)OC)OC.
What is the InChIKey of 3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate?
The InChIKey is UPLYZINIUKQIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O8Si2/c1-22-28(5,23-2)16-9-7-12-18(20)26-14-11-15-27-19(21)13-8-10-17-29(6,24-3)25-4/h7-17H2,1-6H3.
What are the key properties of 3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate?
3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate has a molecular weight of 452.69 g/mol, XLogP of 3.53, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate is sourced from PubChem (CID 167678017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).