ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate

C19H32O3Si — CID 11717029

IUPACethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate
SMILESC=C=CC(C)(C)C(CC#CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O3Si/c1-10-15-19(6,7)16(13-12-14-17(20)21-11-2)22-23(8,9)18(3,4)5/h15-16H,1,11,13H2,2-9H3
InChIKeyMJTSXIDBCTVEIL-UHFFFAOYSA-N
MW336.55 g/mol
LogP4.70
Rot. Bonds6

About ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate

ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate (PubChem CID 11717029) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate.

Molecular Properties

Compound Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate
PubChem CID11717029
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate
SMILESC=C=CC(C)(C)C(CC#CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O3Si/c1-10-15-19(6,7)16(13-12-14-17(20)21-11-2)22-23(8,9)18(3,4)5/h15-16H,1,11,13H2,2-9H3
InChIKeyMJTSXIDBCTVEIL-UHFFFAOYSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate with MolForge

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Related Compounds

Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnon-8-en-2-ynoate
CID 135072439
Ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate
CID 11015277
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-5,5,6-trimethylocta-6,7-dien-2-ynoate
CID 11198492
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnon-8-en-2-ynoate
CID 101016002
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylocta-6,7-dien-2-ynoate
CID 101342106
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-6,7-dien-2-ynoate
CID 101342107
5-[Tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoic acid
CID 102206679

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate?
The IUPAC name of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate (CID 11717029) is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate.
What is the SMILES notation for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate?
The canonical SMILES for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate is C=C=CC(C)(C)C(CC#CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate?
The InChIKey is MJTSXIDBCTVEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-10-15-19(6,7)16(13-12-14-17(20)21-11-2)22-23(8,9)18(3,4)5/h15-16H,1,11,13H2,2-9H3.
What are the key properties of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate?
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate has a molecular weight of 336.55 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnona-7,8-dien-2-ynoate is sourced from PubChem (CID 11717029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).