methoxysilyl 2,2,4-trimethylpentanoate

C9H20O3Si — CID 174849362

IUPACmethoxysilyl 2,2,4-trimethylpentanoate
SMILESCO[SiH2]OC(=O)C(C)(C)CC(C)C
InChIInChI=1S/C9H20O3Si/c1-7(2)6-9(3,4)8(10)12-13-11-5/h7H,6,13H2,1-5H3
InChIKeyAKXKSAFEWYQPBE-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.25
Rot. Bonds5

About methoxysilyl 2,2,4-trimethylpentanoate

methoxysilyl 2,2,4-trimethylpentanoate (PubChem CID 174849362) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is methoxysilyl 2,2,4-trimethylpentanoate.

Molecular Properties

Compound Namemethoxysilyl 2,2,4-trimethylpentanoate
PubChem CID174849362
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Namemethoxysilyl 2,2,4-trimethylpentanoate
SMILESCO[SiH2]OC(=O)C(C)(C)CC(C)C
InChIInChI=1S/C9H20O3Si/c1-7(2)6-9(3,4)8(10)12-13-11-5/h7H,6,13H2,1-5H3
InChIKeyAKXKSAFEWYQPBE-UHFFFAOYSA-N
XLogP1.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.25
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

tert-butyl 2,2,4-trimethylpentanoate
CID 91303202
3,3,5-trimethylhexan-2-one
CID 2776079
2,2,3-trimethylpentan-3-yl 2,2,4-trimethylpentanoate
CID 123798654
(1-methylcyclopentyl) 2,2,4-trimethylpentanoate
CID 148692117
(2,5-dioxopyrrolidin-1-yl) 2,2,4-trimethylpentanoate
CID 129106442
methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate
CID 88933353
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868075
methyl 2-acetyloxy-2,4-dimethylpentanoate
CID 166684864
methyl 2-acetamido-2,4-dimethylpentanoate
CID 24978228
2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid
CID 91844643

Frequently Asked Questions

What is the IUPAC name of methoxysilyl 2,2,4-trimethylpentanoate?
The IUPAC name of methoxysilyl 2,2,4-trimethylpentanoate (CID 174849362) is methoxysilyl 2,2,4-trimethylpentanoate.
What is the SMILES notation for methoxysilyl 2,2,4-trimethylpentanoate?
The canonical SMILES for methoxysilyl 2,2,4-trimethylpentanoate is CO[SiH2]OC(=O)C(C)(C)CC(C)C.
What is the InChIKey of methoxysilyl 2,2,4-trimethylpentanoate?
The InChIKey is AKXKSAFEWYQPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-7(2)6-9(3,4)8(10)12-13-11-5/h7H,6,13H2,1-5H3.
What are the key properties of methoxysilyl 2,2,4-trimethylpentanoate?
methoxysilyl 2,2,4-trimethylpentanoate has a molecular weight of 204.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxysilyl 2,2,4-trimethylpentanoate is sourced from PubChem (CID 174849362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).