methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate

C14H26O3Si — CID 13470495

IUPACmethyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate
SMILESCOC(=O)CCC=C=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-10-8-7-9-11-13(15)16-4/h7,10H,9,11-12H2,1-6H3
InChIKeyYNOAMCDKZLJFSA-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.67
Rot. Bonds6

About methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate

methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate (PubChem CID 13470495) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate.

Molecular Properties

Compound Namemethyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate
PubChem CID13470495
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Namemethyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate
SMILESCOC(=O)CCC=C=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-10-8-7-9-11-13(15)16-4/h7,10H,9,11-12H2,1-6H3
InChIKeyYNOAMCDKZLJFSA-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate 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 3-(trimethylsilyl)-4-pentenoate
CID 3385579
[Tert-butyl(dimethyl)silyl] pent-4-enoate
CID 13678910
ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
CID 135075742
3-(Trimethylsilyl)-4-pentenoic acid ethyl ester
CID 14214593
2-Trimethylsilylethyl pent-4-enoate
CID 15360091
Methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
CID 54374029
Methyl 8-[tert-butyl(dimethyl)silyl]oxyocta-4,5-dienoate
CID 57002312
7-[Tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate
CID 57291525
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 57598336
Methyl 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 76631626
methyl (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
CID 88436550
4-Methoxybut-1-ene;trimethylsilyl pent-4-enoate
CID 91194515

Frequently Asked Questions

What is the IUPAC name of methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate?
The IUPAC name of methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate (CID 13470495) is methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate.
What is the SMILES notation for methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate?
The canonical SMILES for methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate is COC(=O)CCC=C=CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate?
The InChIKey is YNOAMCDKZLJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-10-8-7-9-11-13(15)16-4/h7,10H,9,11-12H2,1-6H3.
What are the key properties of methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate?
methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate has a molecular weight of 270.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate is sourced from PubChem (CID 13470495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).