methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate

C13H26O2Si — CID 134893722

IUPACmethyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate
SMILESC=C[C@H](CC(=O)OC)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-11(9-12(14)15-5)10-16(6,7)13(2,3)4/h8,11H,1,9-10H2,2-7H3/t11-/m1/s1
InChIKeyFDVXYVVASAOATE-LLVKDONJSA-N
MW242.43 g/mol
LogP3.86
Rot. Bonds5

About methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate

methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate (PubChem CID 134893722) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate
PubChem CID134893722
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Namemethyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate
SMILESC=C[C@H](CC(=O)OC)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-11(9-12(14)15-5)10-16(6,7)13(2,3)4/h8,11H,1,9-10H2,2-7H3/t11-/m1/s1
InChIKeyFDVXYVVASAOATE-LLVKDONJSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Methyl 3-(trimethylsilyl)-4-pentenoate
CID 3385579
Tri(propan-2-yl)silyl pent-4-enoate
CID 10735566
methyl (1R,2S,3R)-2-methyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 11009266
diethyl 2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 12741310
(E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid
CID 13289142
[Tert-butyl(dimethyl)silyl] pent-4-enoate
CID 13678910
methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate
CID 44521629
cis-methyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 101400162
methyl (E,3S)-3-trimethylsilylhex-4-enoate
CID 134938980
methyl (E,3R)-3-trimethylsilylhex-4-enoate
CID 134962008
methyl (E)-6-trimethylsilylhex-4-enoate
CID 134978772
diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate
CID 134981047

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate?
The IUPAC name of methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate (CID 134893722) is methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate.
What is the SMILES notation for methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate?
The canonical SMILES for methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate is C=C[C@H](CC(=O)OC)C[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate?
The InChIKey is FDVXYVVASAOATE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-8-11(9-12(14)15-5)10-16(6,7)13(2,3)4/h8,11H,1,9-10H2,2-7H3/t11-/m1/s1.
What are the key properties of methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate?
methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate has a molecular weight of 242.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate is sourced from PubChem (CID 134893722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).