methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

C12H24O3Si — CID 11806891

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H24O3Si/c1-8-9-10(11(13)14-5)15-16(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3/t10-/m0/s1
InChIKeyKPJNHBQRXQMXKI-JTQLQIEISA-N
MW244.41 g/mol
LogP3.13
Rot. Bonds5

About methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (PubChem CID 11806891) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
PubChem CID11806891
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H24O3Si/c1-8-9-10(11(13)14-5)15-16(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3/t10-/m0/s1
InChIKeyKPJNHBQRXQMXKI-JTQLQIEISA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.13
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

Ethyl 2-methyl-2-(triethylsiloxy)-4-pentenoate
CID 129741661
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 135086453
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
CID 154709335
methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 21348812
Methyl 2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 73782471
(R)-2-((tert-butyldimethylsilyl)oxy)pent-4-enoic acid
CID 86714802
(S)-2-((tert-butyldimethylsilyl)oxy)pent-4-enoic acid
CID 86714996
3-[tert-butyl(dimethyl)silyl]oxy-3H-furan-2-one
CID 129996567
Methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 141130143
2-[Tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 151661034
Methyl 2-trimethylsilyloxybut-3-enoate
CID 156672558
Ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 171790674

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (CID 11806891) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is C=CC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The InChIKey is KPJNHBQRXQMXKI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24O3Si/c1-8-9-10(11(13)14-5)15-16(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is sourced from PubChem (CID 11806891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).