7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate

C17H34O3Si — CID 139889078

IUPAC7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate
SMILESC=CCC(=O)OCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-7-13-16(18)19-14-11-9-8-10-12-15-20-21(5,6)17(2,3)4/h7H,1,8-15H2,2-6H3
InChIKeyHRYRGSZCXVVVGL-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds11

About 7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate

7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate (PubChem CID 139889078) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate
PubChem CID139889078
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate
SMILESC=CCC(=O)OCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-7-13-16(18)19-14-11-9-8-10-12-15-20-21(5,6)17(2,3)4/h7H,1,8-15H2,2-6H3
InChIKeyHRYRGSZCXVVVGL-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
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'}

Analyze 7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-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

Ethyl (3R,6S)-6-(triisopropylsiloxy)-3,4-tridecadienoate
CID 11825755
[(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate
CID 100968593
[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
CID 135079804
(5E,8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-1-oxacyclotetradec-5-en-2-one
CID 10862501
Undec-10-enyl 2-trimethylsilylacetate
CID 88523333
[(Z,7R)-18-[tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl] acetate
CID 162517816
[(Z)-20-[tert-butyl(dimethyl)silyl]oxyicos-8-enyl] acetate
CID 170564308
18-[Tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl acetate
CID 171571898
[(Z)-18-[tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl] acetate
CID 173887883
8-[Tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate
CID 11001086
methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate
CID 11782847
tert-butyl (E)-11-[tert-butyl(dimethyl)silyl]oxydodec-3-enoate
CID 11825173

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate (CID 139889078) is 7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate is C=CCC(=O)OCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate?
The InChIKey is HRYRGSZCXVVVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-7-13-16(18)19-14-11-9-8-10-12-15-20-21(5,6)17(2,3)4/h7H,1,8-15H2,2-6H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate?
7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate is sourced from PubChem (CID 139889078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).