prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate

C18H32O3Si — CID 44817642

IUPACprop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate
SMILESC=CCOC(=O)C(C)=C=CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-8-14-20-17(19)16(2)13-11-9-10-12-15-21-22(6,7)18(3,4)5/h8,11H,1,9-10,12,14-15H2,2-7H3
InChIKeyWEACXMUWQITLJU-UHFFFAOYSA-N
MW324.54 g/mol
LogP5.01
Rot. Bonds9

About prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate

prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate (PubChem CID 44817642) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate.

Molecular Properties

Compound Nameprop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate
PubChem CID44817642
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nameprop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate
SMILESC=CCOC(=O)C(C)=C=CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-8-14-20-17(19)16(2)13-11-9-10-12-15-21-22(6,7)18(3,4)5/h8,11H,1,9-10,12,14-15H2,2-7H3
InChIKeyWEACXMUWQITLJU-UHFFFAOYSA-N
XLogP5.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.54
LogP ≤ 55.01
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
8-[Tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate
CID 46188086
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate
CID 53304622
ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate
CID 134904819
ethyl (E)-2-but-3-enyl-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 135012716
9-[Tert-butyl(dimethyl)silyl]oxynona-2,3-dienyl acetate
CID 135015661
ethyl (Z)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
CID 154722964
ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate
CID 11724843
(E)-ethyl 7-(tert-butyldimethylsiloxy)-2-methyl-2-heptenate
CID 11055704
2-[Dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate
CID 20631232
3-[Dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate
CID 20631234
5-[2-[Dimethyl(pentyl)silyl]propan-2-yloxy-dimethylsilyl]pentyl 2-methylprop-2-enoate
CID 20766159

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate?
The IUPAC name of prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate (CID 44817642) is prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate.
What is the SMILES notation for prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate?
The canonical SMILES for prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate is C=CCOC(=O)C(C)=C=CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate?
The InChIKey is WEACXMUWQITLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-8-14-20-17(19)16(2)13-11-9-10-12-15-21-22(6,7)18(3,4)5/h8,11H,1,9-10,12,14-15H2,2-7H3.
What are the key properties of prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate?
prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate has a molecular weight of 324.54 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate is sourced from PubChem (CID 44817642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).