methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate

C10H20O3Si — CID 11020315

IUPACmethyl (E,3R)-3-trimethylsilyloxyhex-4-enoate
SMILESC/C=C/[C@@H](CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-7-9(8-10(11)12-2)13-14(3,4)5/h6-7,9H,8H2,1-5H3/b7-6+/t9-/m0/s1
InChIKeyORSKSVKSHDFNCZ-UCUJLANTSA-N
MW216.35 g/mol
LogP2.35
Rot. Bonds5

About methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate

methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate (PubChem CID 11020315) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate.

Molecular Properties

Compound Namemethyl (E,3R)-3-trimethylsilyloxyhex-4-enoate
PubChem CID11020315
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Namemethyl (E,3R)-3-trimethylsilyloxyhex-4-enoate
SMILESC/C=C/[C@@H](CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-7-9(8-10(11)12-2)13-14(3,4)5/h6-7,9H,8H2,1-5H3/b7-6+/t9-/m0/s1
InChIKeyORSKSVKSHDFNCZ-UCUJLANTSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.35
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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Related Compounds

(Trimethylsilyloxy)cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester
CID 12405273
tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
CID 138971087
methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate
CID 139250253
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
methyl (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enoate
CID 101611852
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361
Tert-butyl 3-[(tert-butyldimethylsilyl)oxy]pent-4-enoate
CID 14926561
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 56954181
Ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 73193423
2-trimethylsilylethyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
CID 90362172

Frequently Asked Questions

What is the IUPAC name of methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate?
The IUPAC name of methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate (CID 11020315) is methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate.
What is the SMILES notation for methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate?
The canonical SMILES for methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate is C/C=C/[C@@H](CC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate?
The InChIKey is ORSKSVKSHDFNCZ-UCUJLANTSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-6-7-9(8-10(11)12-2)13-14(3,4)5/h6-7,9H,8H2,1-5H3/b7-6+/t9-/m0/s1.
What are the key properties of methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate?
methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate has a molecular weight of 216.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate is sourced from PubChem (CID 11020315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).