methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

C12H24O3Si — CID 76631626

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESCOC(=O)CCC=CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10-8-7-9-11(13)14-4/h8,10H,7,9H2,1-6H3
InChIKeyMYXMYPFERDCUHQ-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.48
Rot. Bonds5

About methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (PubChem CID 76631626) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
PubChem CID76631626
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESCOC(=O)CCC=CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10-8-7-9-11(13)14-4/h8,10H,7,9H2,1-6H3
InChIKeyMYXMYPFERDCUHQ-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (CID 76631626) is methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is COC(=O)CCC=CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The InChIKey is MYXMYPFERDCUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10-8-7-9-11(13)14-4/h8,10H,7,9H2,1-6H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is sourced from PubChem (CID 76631626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).