5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate

C25H34O3Si — CID 172860642

IUPAC5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O3Si/c1-21(2)24(26)27-19-13-8-14-20-28-29(25(3,4)5,22-15-9-6-10-16-22)23-17-11-7-12-18-23/h6-7,9-12,15-18H,1,8,13-14,19-20H2,2-5H3
InChIKeyZHMWCNZNRSUCNF-UHFFFAOYSA-N
MW410.63 g/mol
LogP4.85
Rot. Bonds10

About 5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate

5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate (PubChem CID 172860642) has the molecular formula C25H34O3Si and a molecular weight of 410.63 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
PubChem CID172860642
Molecular FormulaC25H34O3Si
Molecular Weight410.63 g/mol
Exact Mass410.23
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O3Si/c1-21(2)24(26)27-19-13-8-14-20-28-29(25(3,4)5,22-15-9-6-10-16-22)23-17-11-7-12-18-23/h6-7,9-12,15-18H,1,8,13-14,19-20H2,2-5H3
InChIKeyZHMWCNZNRSUCNF-UHFFFAOYSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 54.85
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate
CID 16663523
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate
CID 10319406
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate (CID 172860642) is 5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate?
The InChIKey is ZHMWCNZNRSUCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3Si/c1-21(2)24(26)27-19-13-8-14-20-28-29(25(3,4)5,22-15-9-6-10-16-22)23-17-11-7-12-18-23/h6-7,9-12,15-18H,1,8,13-14,19-20H2,2-5H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate?
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate has a molecular weight of 410.63 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate is sourced from PubChem (CID 172860642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).