trimethylsilyl 2-methylpent-4-enoate

C9H18O2Si — CID 552477

IUPACtrimethylsilyl 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-6-7-8(2)9(10)11-12(3,4)5/h6,8H,1,7H2,2-5H3
InChIKeyBTXFROGYYXYDGW-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.58
Rot. Bonds4

About trimethylsilyl 2-methylpent-4-enoate

trimethylsilyl 2-methylpent-4-enoate (PubChem CID 552477) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is trimethylsilyl 2-methylpent-4-enoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methylpent-4-enoate
PubChem CID552477
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Nametrimethylsilyl 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-6-7-8(2)9(10)11-12(3,4)5/h6,8H,1,7H2,2-5H3
InChIKeyBTXFROGYYXYDGW-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.58
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

Trimethylsilyl 4-pentenoate
CID 554477
Tri(propan-2-yl)silyl pent-4-enoate
CID 10735566
4-Pentenoic acid, 2-propyl, trimethylsilyl ester
CID 526133
(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
methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate
CID 134893722
ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
CID 135075742
2-Methylpent-4-enoic acid,methyl(tetramethylene)silyl ester
CID 567524
1-Methyl-1-(2-methyl-4-pentenoyloxy)-1-silacyclohexane
CID 602971
trimethylsilyl (4S)-4-methylhex-5-enoate
CID 102423035
Triethylsilyl 2,2-dimethylpent-4-enoate
CID 11425035

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-methylpent-4-enoate?
The IUPAC name of trimethylsilyl 2-methylpent-4-enoate (CID 552477) is trimethylsilyl 2-methylpent-4-enoate.
What is the SMILES notation for trimethylsilyl 2-methylpent-4-enoate?
The canonical SMILES for trimethylsilyl 2-methylpent-4-enoate is C=CCC(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methylpent-4-enoate?
The InChIKey is BTXFROGYYXYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-6-7-8(2)9(10)11-12(3,4)5/h6,8H,1,7H2,2-5H3.
What are the key properties of trimethylsilyl 2-methylpent-4-enoate?
trimethylsilyl 2-methylpent-4-enoate has a molecular weight of 186.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methylpent-4-enoate is sourced from PubChem (CID 552477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).