methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate

C14H28O4Si — CID 101249919

IUPACmethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate
SMILESCOC(=O)C[C@@H](O)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-11(12(15)10-13(16)17-5)8-9-18-19(6,7)14(2,3)4/h8,12,15H,9-10H2,1-7H3/b11-8+/t12-/m1/s1
InChIKeyREPCXNWCVJNELL-JATZPVMKSA-N
MW288.46 g/mol
LogP2.88
Rot. Bonds6

About methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate

methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate (PubChem CID 101249919) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate.

Molecular Properties

Compound Namemethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate
PubChem CID101249919
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namemethyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate
SMILESCOC(=O)C[C@@H](O)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-11(12(15)10-13(16)17-5)8-9-18-19(6,7)14(2,3)4/h8,12,15H,9-10H2,1-7H3/b11-8+/t12-/m1/s1
InChIKeyREPCXNWCVJNELL-JATZPVMKSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate?
The IUPAC name of methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate (CID 101249919) is methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate.
What is the SMILES notation for methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate?
The canonical SMILES for methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate is COC(=O)C[C@@H](O)/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate?
The InChIKey is REPCXNWCVJNELL-JATZPVMKSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-11(12(15)10-13(16)17-5)8-9-18-19(6,7)14(2,3)4/h8,12,15H,9-10H2,1-7H3/b11-8+/t12-/m1/s1.
What are the key properties of methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate?
methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate has a molecular weight of 288.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylhex-4-enoate is sourced from PubChem (CID 101249919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).