methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate

C11H24O3Si — CID 89206042

IUPACmethyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate
SMILESCOC(=O)CC(C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C11H24O3Si/c1-9(7-10(12)14-4)8-11(2,3)15(5,6)13/h9,13H,7-8H2,1-6H3
InChIKeyISQHOPUPMSDLFL-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.55
Rot. Bonds5

About methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate

methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate (PubChem CID 89206042) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate.

Molecular Properties

Compound Namemethyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate
PubChem CID89206042
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Namemethyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate
SMILESCOC(=O)CC(C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C11H24O3Si/c1-9(7-10(12)14-4)8-11(2,3)15(5,6)13/h9,13H,7-8H2,1-6H3
InChIKeyISQHOPUPMSDLFL-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate?
The IUPAC name of methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate (CID 89206042) is methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate.
What is the SMILES notation for methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate?
The canonical SMILES for methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate is COC(=O)CC(C)CC(C)(C)[Si](C)(C)O.
What is the InChIKey of methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate?
The InChIKey is ISQHOPUPMSDLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-9(7-10(12)14-4)8-11(2,3)15(5,6)13/h9,13H,7-8H2,1-6H3.
What are the key properties of methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate?
methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate has a molecular weight of 232.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[hydroxy(dimethyl)silyl]-3,5-dimethylhexanoate is sourced from PubChem (CID 89206042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).