(4-methyl-4-trimethylsilylpentyl) but-3-enoate

C13H26O2Si — CID 22971905

IUPAC(4-methyl-4-trimethylsilylpentyl) but-3-enoate
SMILESC=CCC(=O)OCCCC(C)(C)[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-9-12(14)15-11-8-10-13(2,3)16(4,5)6/h7H,1,8-11H2,2-6H3
InChIKeyGIKHRCUBFNTNEI-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.00
Rot. Bonds7

About (4-methyl-4-trimethylsilylpentyl) but-3-enoate

(4-methyl-4-trimethylsilylpentyl) but-3-enoate (PubChem CID 22971905) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (4-methyl-4-trimethylsilylpentyl) but-3-enoate.

Molecular Properties

Compound Name(4-methyl-4-trimethylsilylpentyl) but-3-enoate
PubChem CID22971905
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(4-methyl-4-trimethylsilylpentyl) but-3-enoate
SMILESC=CCC(=O)OCCCC(C)(C)[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-9-12(14)15-11-8-10-13(2,3)16(4,5)6/h7H,1,8-11H2,2-6H3
InChIKeyGIKHRCUBFNTNEI-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 134944492
Ethyl 2-triethylsilylbut-3-enoate
CID 145865774
Ethyl 2,3-dimethyl-2-(trimethylsilyl)but-3-enoate
CID 13217745
CID 59990313
CID 59990313
4-[Tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate
CID 139889079
4-Methylpentyl but-3-enoate
CID 139900274
[(Z)-5-trimethylsilylpent-4-enyl] 2,2-dimethylpropanoate
CID 140489874
(4-Methyl-4-methylsilylhexyl) but-3-enoate
CID 173562096
3-[Methyl(oxo)silyl]propyl 2-methylbut-3-enoate
CID 173597606
2-Methylpentyl but-3-enoate
CID 175331082

Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-trimethylsilylpentyl) but-3-enoate?
The IUPAC name of (4-methyl-4-trimethylsilylpentyl) but-3-enoate (CID 22971905) is (4-methyl-4-trimethylsilylpentyl) but-3-enoate.
What is the SMILES notation for (4-methyl-4-trimethylsilylpentyl) but-3-enoate?
The canonical SMILES for (4-methyl-4-trimethylsilylpentyl) but-3-enoate is C=CCC(=O)OCCCC(C)(C)[Si](C)(C)C.
What is the InChIKey of (4-methyl-4-trimethylsilylpentyl) but-3-enoate?
The InChIKey is GIKHRCUBFNTNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-9-12(14)15-11-8-10-13(2,3)16(4,5)6/h7H,1,8-11H2,2-6H3.
What are the key properties of (4-methyl-4-trimethylsilylpentyl) but-3-enoate?
(4-methyl-4-trimethylsilylpentyl) but-3-enoate has a molecular weight of 242.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-trimethylsilylpentyl) but-3-enoate is sourced from PubChem (CID 22971905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).