ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate

C18H32O3Si — CID 101012127

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate
SMILESCCOC(=O)C#CC(CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-9-20-17(19)14-13-16(12-10-11-15(2)3)21-22(7,8)18(4,5)6/h11,16H,9-10,12H2,1-8H3
InChIKeyPQANWCIYZWJQJT-UHFFFAOYSA-N
MW324.54 g/mol
LogP4.69
Rot. Bonds6

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate (PubChem CID 101012127) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate
PubChem CID101012127
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate
SMILESCCOC(=O)C#CC(CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-9-20-17(19)14-13-16(12-10-11-15(2)3)21-22(7,8)18(4,5)6/h11,16H,9-10,12H2,1-8H3
InChIKeyPQANWCIYZWJQJT-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate 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

(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid
CID 10924033
ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate
CID 11034701
methyl (7E)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate
CID 100991014
[(4S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-1-en-5-yn-4-yl] but-2-ynoate
CID 134834140
ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate
CID 134887280
methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate
CID 134969842
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate
CID 135016356
ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate
CID 11035574
(7E,9Z)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclotetradeca-7,9-dien-3-yn-2-one
CID 58714750
(E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid
CID 58902908
hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate
CID 59721600
Hex-5-enyl 5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate
CID 72367443

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate (CID 101012127) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate is CCOC(=O)C#CC(CCC=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate?
The InChIKey is PQANWCIYZWJQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-9-20-17(19)14-13-16(12-10-11-15(2)3)21-22(7,8)18(4,5)6/h11,16H,9-10,12H2,1-8H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate has a molecular weight of 324.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate is sourced from PubChem (CID 101012127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).