methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate

C15H30O5Si — CID 24764284

IUPACmethyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCOC(=O)CC(CCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C15H30O5Si/c1-12(16)20-13(11-14(17)18-5)9-8-10-19-21(6,7)15(2,3)4/h13H,8-11H2,1-7H3
InChIKeyJFECYWDNLBNBCA-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.28
Rot. Bonds8

About methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate

methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate (PubChem CID 24764284) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate.

Molecular Properties

Compound Namemethyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate
PubChem CID24764284
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Namemethyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCOC(=O)CC(CCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C15H30O5Si/c1-12(16)20-13(11-14(17)18-5)9-8-10-19-21(6,7)15(2,3)4/h13H,8-11H2,1-7H3
InChIKeyJFECYWDNLBNBCA-UHFFFAOYSA-N
XLogP3.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The IUPAC name of methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate (CID 24764284) is methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate.
What is the SMILES notation for methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The canonical SMILES for methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate is COC(=O)CC(CCCO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The InChIKey is JFECYWDNLBNBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-12(16)20-13(11-14(17)18-5)9-8-10-19-21(6,7)15(2,3)4/h13H,8-11H2,1-7H3.
What are the key properties of methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate?
methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate has a molecular weight of 318.49 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate is sourced from PubChem (CID 24764284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).