methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate

C13H26O3Si — CID 10912215

IUPACmethyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
SMILESC/C=C/[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-8-9-11(10-12(14)15-5)16-17(6,7)13(2,3)4/h8-9,11H,10H2,1-7H3/b9-8+/t11-/m0/s1
InChIKeyBOLIQUZJXFOUDD-FBOQAHMBSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds5

About methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate

methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate (PubChem CID 10912215) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate.

Molecular Properties

Compound Namemethyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
PubChem CID10912215
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
SMILESC/C=C/[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-8-9-11(10-12(14)15-5)16-17(6,7)13(2,3)4/h8-9,11H,10H2,1-7H3/b9-8+/t11-/m0/s1
InChIKeyBOLIQUZJXFOUDD-FBOQAHMBSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
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

4-Hexenal, 3-(t-butyldimethylsilyloxy)-
CID 5366923
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 11138911
(Trimethylsilyloxy)cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester
CID 12405273
tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
CID 138971087
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701602
methyl (E,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701603
methyl (E,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701604
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate
CID 15921993
(S)-3-((tert-Butyldimethylsilyl)oxy)pent-4-enoic acid
CID 24938600
(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one
CID 134889837
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate
CID 135016356
methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate
CID 139250253

Frequently Asked Questions

What is the IUPAC name of methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
The IUPAC name of methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate (CID 10912215) is methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate.
What is the SMILES notation for methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
The canonical SMILES for methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate is C/C=C/[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
The InChIKey is BOLIQUZJXFOUDD-FBOQAHMBSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-8-9-11(10-12(14)15-5)16-17(6,7)13(2,3)4/h8-9,11H,10H2,1-7H3/b9-8+/t11-/m0/s1.
What are the key properties of methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 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-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate is sourced from PubChem (CID 10912215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).