methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate

C14H30O3Si — CID 11821828

IUPACmethyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate
SMILESCCCCCC(O[Si](C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C14H30O3Si/c1-8-9-10-11-12(17-18(5,6)7)14(2,3)13(15)16-4/h12H,8-11H2,1-7H3
InChIKeyQYMDTMAETXFTTD-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.99
Rot. Bonds8

About methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate

methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate (PubChem CID 11821828) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate
PubChem CID11821828
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Namemethyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate
SMILESCCCCCC(O[Si](C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C14H30O3Si/c1-8-9-10-11-12(17-18(5,6)7)14(2,3)13(15)16-4/h12H,8-11H2,1-7H3
InChIKeyQYMDTMAETXFTTD-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate?
The IUPAC name of methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate (CID 11821828) is methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate is CCCCCC(O[Si](C)(C)C)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate?
The InChIKey is QYMDTMAETXFTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-8-9-10-11-12(17-18(5,6)7)14(2,3)13(15)16-4/h12H,8-11H2,1-7H3.
What are the key properties of methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate?
methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate has a molecular weight of 274.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-trimethylsilyloxyoctanoate is sourced from PubChem (CID 11821828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).