methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate

C25H34O3Si — CID 10319406

IUPACmethyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate
SMILESCOC(=O)/C(C)=C/CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O3Si/c1-21(24(26)27-5)15-9-8-14-20-28-29(25(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h6-7,10-13,15-19H,8-9,14,20H2,1-5H3/b21-15+
InChIKeyHYWGOJYSKHVDDA-RCCKNPSSSA-N
MW410.63 g/mol
LogP4.85
Rot. Bonds9

About methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate

methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate (PubChem CID 10319406) has the molecular formula C25H34O3Si and a molecular weight of 410.63 g/mol. Its IUPAC name is methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate.

Molecular Properties

Compound Namemethyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate
PubChem CID10319406
Molecular FormulaC25H34O3Si
Molecular Weight410.63 g/mol
Exact Mass410.23
IUPAC Namemethyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate
SMILESCOC(=O)/C(C)=C/CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O3Si/c1-21(24(26)27-5)15-9-8-14-20-28-29(25(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h6-7,10-13,15-19H,8-9,14,20H2,1-5H3/b21-15+
InChIKeyHYWGOJYSKHVDDA-RCCKNPSSSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
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 methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-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

methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
CID 99772672
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
(Z)-8-[tert-butyl(diphenyl)silyl]oxy-3-fluorooct-3-en-1-ol
CID 23054616
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane
CID 102031153
methyl (E)-2-methyl-7-phenylhept-2-enoate
CID 10911424
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379

Frequently Asked Questions

What is the IUPAC name of methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate?
The IUPAC name of methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate (CID 10319406) is methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate.
What is the SMILES notation for methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate?
The canonical SMILES for methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate is COC(=O)/C(C)=C/CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate?
The InChIKey is HYWGOJYSKHVDDA-RCCKNPSSSA-N. The full InChI is InChI=1S/C25H34O3Si/c1-21(24(26)27-5)15-9-8-14-20-28-29(25(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h6-7,10-13,15-19H,8-9,14,20H2,1-5H3/b21-15+.
What are the key properties of methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate?
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate has a molecular weight of 410.63 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate is sourced from PubChem (CID 10319406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).