methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate

C15H30O3Si — CID 101058437

IUPACmethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate
SMILESC=CCC(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-8-10-13(14(16)17-5)11-9-12-18-19(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3
InChIKeyRIHSXPNHNQIPDM-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.15
Rot. Bonds8

About methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate

methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate (PubChem CID 101058437) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate
PubChem CID101058437
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate
SMILESC=CCC(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-8-10-13(14(16)17-5)11-9-12-18-19(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3
InChIKeyRIHSXPNHNQIPDM-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate?
The IUPAC name of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate (CID 101058437) is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate.
What is the SMILES notation for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate?
The canonical SMILES for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate is C=CCC(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate?
The InChIKey is RIHSXPNHNQIPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-10-13(14(16)17-5)11-9-12-18-19(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3.
What are the key properties of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate?
methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pent-4-enoate is sourced from PubChem (CID 101058437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).