trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate

C14H32O3Si2 — CID 526140

IUPACtrimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate
SMILESCCCC(CC(C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O3Si2/c1-9-10-13(14(15)17-19(6,7)8)11-12(2)16-18(3,4)5/h12-13H,9-11H2,1-8H3
InChIKeyYWWMPRJWXQPBOQ-UHFFFAOYSA-N
MW304.58 g/mol
LogP4.41
Rot. Bonds8

About trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate

trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate (PubChem CID 526140) has the molecular formula C14H32O3Si2 and a molecular weight of 304.58 g/mol. Its IUPAC name is trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate
PubChem CID526140
Molecular FormulaC14H32O3Si2
Molecular Weight304.58 g/mol
Exact Mass304.19
IUPAC Nametrimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate
SMILESCCCC(CC(C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O3Si2/c1-9-10-13(14(15)17-19(6,7)8)11-12(2)16-18(3,4)5/h12-13H,9-11H2,1-8H3
InChIKeyYWWMPRJWXQPBOQ-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
2-Propyl-5-hydroxypentanoic acid, diTMS
CID 523705
4-Hydroxy-2-methylpentanoic acid, bis-TMS
CID 14440990
Trimethylsilyl 2-ethyl-3-trimethylsilyloxy-4-methyl-valerate
CID 553005
Trimethylsilyl 2-ethyl-3-[(trimethylsilyl)oxy]hexanoate
CID 91718976
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
CID 59132379
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
CID 89109520
2-Ethyl-4-triethylsilyloxyhexanoic acid
CID 172830497

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate?
The IUPAC name of trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate (CID 526140) is trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate.
What is the SMILES notation for trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate?
The canonical SMILES for trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate is CCCC(CC(C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate?
The InChIKey is YWWMPRJWXQPBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3Si2/c1-9-10-13(14(15)17-19(6,7)8)11-12(2)16-18(3,4)5/h12-13H,9-11H2,1-8H3.
What are the key properties of trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate?
trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate has a molecular weight of 304.58 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-propyl-4-trimethylsilyloxypentanoate is sourced from PubChem (CID 526140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).