methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

C13H26O3Si — CID 171991602

IUPACmethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
SMILESC=CC[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/h8,11H,1,9-10H2,2-7H3/t11-/m0/s1
InChIKeyHLAIGQGXQXPMGT-NSHDSACASA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds6

About methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (PubChem CID 171991602) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.

Molecular Properties

Compound Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
PubChem CID171991602
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
SMILESC=CC[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/h8,11H,1,9-10H2,2-7H3/t11-/m0/s1
InChIKeyHLAIGQGXQXPMGT-NSHDSACASA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

(R)-3-(tert-Butyldimethylsilyloxy)-5-hexenoic acid
CID 14110578
Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
CID 138971087
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
Methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate
CID 15214226
methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate
CID 46944472
Methyl (e)-8-[t-butyl(dimethyl)silyloxy]oct-5-enoate
CID 132281217
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361
Methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate
CID 11558120
Tert-butyl 3-[(tert-butyldimethylsilyl)oxy]pent-4-enoate
CID 14926561

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (CID 171991602) is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.
What is the SMILES notation for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The canonical SMILES for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is C=CC[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The InChIKey is HLAIGQGXQXPMGT-NSHDSACASA-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/h8,11H,1,9-10H2,2-7H3/t11-/m0/s1.
What are the key properties of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is sourced from PubChem (CID 171991602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).