methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate

C14H28O3Si — CID 89400017

IUPACmethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate
SMILESCOC(=O)CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-12(8-9-13(15)16-5)10-11-17-18(6,7)14(2,3)4/h10H,8-9,11H2,1-7H3/b12-10+
InChIKeyLCTSVQNMLRBQDK-ZRDIBKRKSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds6

About methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate

methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate (PubChem CID 89400017) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate.

Molecular Properties

Compound Namemethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate
PubChem CID89400017
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namemethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate
SMILESCOC(=O)CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-12(8-9-13(15)16-5)10-11-17-18(6,7)14(2,3)4/h10H,8-9,11H2,1-7H3/b12-10+
InChIKeyLCTSVQNMLRBQDK-ZRDIBKRKSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate?
The IUPAC name of methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate (CID 89400017) is methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate.
What is the SMILES notation for methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate?
The canonical SMILES for methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate is COC(=O)CC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate?
The InChIKey is LCTSVQNMLRBQDK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-12(8-9-13(15)16-5)10-11-17-18(6,7)14(2,3)4/h10H,8-9,11H2,1-7H3/b12-10+.
What are the key properties of methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate?
methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate is sourced from PubChem (CID 89400017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).