2,4-dimethylpentan-3-yl 2-trimethylsilylacetate

C12H26O2Si — CID 11413585

IUPAC2,4-dimethylpentan-3-yl 2-trimethylsilylacetate
SMILESCC(C)C(OC(=O)C[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-9(2)12(10(3)4)14-11(13)8-15(5,6)7/h9-10,12H,8H2,1-7H3
InChIKeyWHUNPOZHTDTQKU-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.55
Rot. Bonds5

About 2,4-dimethylpentan-3-yl 2-trimethylsilylacetate

2,4-dimethylpentan-3-yl 2-trimethylsilylacetate (PubChem CID 11413585) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl 2-trimethylsilylacetate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl 2-trimethylsilylacetate
PubChem CID11413585
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name2,4-dimethylpentan-3-yl 2-trimethylsilylacetate
SMILESCC(C)C(OC(=O)C[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-9(2)12(10(3)4)14-11(13)8-15(5,6)7/h9-10,12H,8H2,1-7H3
InChIKeyWHUNPOZHTDTQKU-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethyl-3-pentanol acetate
CID 145036
2-Methylpentan-3-yl acetate
CID 538750
[1-[Fluoro(dimethyl)silyl]-2-methylheptan-3-yl] acetate
CID 13723023
Propan-2-yl 3-[fluoro(dimethyl)silyl]-2-methylpropanoate
CID 174136342
[(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate
CID 14979375
[(3R)-2-methylpentan-3-yl] acetate
CID 13674261
1-Trimethylsilylbutan-2-yl acetate
CID 20661380
(1,1-Dimethylsilinan-4-yl) 2-methylbutanoate
CID 57591985
CID 57592001
CID 57592001
CID 60041662
CID 60041662
[(3S)-2-methylpentan-3-yl] acetate
CID 91999078
[2-(Acetyloxymethyl)-5-trimethylsilylpentyl] acetate
CID 139776651

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl 2-trimethylsilylacetate?
The IUPAC name of 2,4-dimethylpentan-3-yl 2-trimethylsilylacetate (CID 11413585) is 2,4-dimethylpentan-3-yl 2-trimethylsilylacetate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl 2-trimethylsilylacetate?
The canonical SMILES for 2,4-dimethylpentan-3-yl 2-trimethylsilylacetate is CC(C)C(OC(=O)C[Si](C)(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl 2-trimethylsilylacetate?
The InChIKey is WHUNPOZHTDTQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-9(2)12(10(3)4)14-11(13)8-15(5,6)7/h9-10,12H,8H2,1-7H3.
What are the key properties of 2,4-dimethylpentan-3-yl 2-trimethylsilylacetate?
2,4-dimethylpentan-3-yl 2-trimethylsilylacetate has a molecular weight of 230.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl 2-trimethylsilylacetate is sourced from PubChem (CID 11413585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).