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

C18H32O3Si — CID 11034701

IUPACethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate
SMILESC/C=C\CCC(C)(C#CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-9-11-12-14-18(6,15-13-16(19)20-10-2)21-22(7,8)17(3,4)5/h9,11H,10,12,14H2,1-8H3/b11-9-
InChIKeyNRICEHJKFHLDOZ-LUAWRHEFSA-N
MW324.54 g/mol
LogP4.69
Rot. Bonds6

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

ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate (PubChem CID 11034701) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate.

Molecular Properties

Compound Nameethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate
PubChem CID11034701
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nameethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate
SMILESC/C=C\CCC(C)(C#CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-9-11-12-14-18(6,15-13-16(19)20-10-2)21-22(7,8)17(3,4)5/h9,11H,10,12,14H2,1-8H3/b11-9-
InChIKeyNRICEHJKFHLDOZ-LUAWRHEFSA-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'}

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Related Compounds

[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate
CID 14903688
methyl (7E)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate
CID 100991014
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate
CID 101012127
ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate
CID 134887280
ethyl (5S,8E,10Z)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,7,7-trimethyldodeca-8,10-dien-3-ynoate
CID 162405194
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
[7-[Tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 72462459
ethyl (E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoate
CID 140866958
Tert-butyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]prop-2-ynoate
CID 176405839
Methyl 4-but-3-enyl-4-triethylsilyloxyoct-7-en-2-ynoate
CID 10593001

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate?
The IUPAC name of ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate (CID 11034701) is ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate.
What is the SMILES notation for ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate?
The canonical SMILES for ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate is C/C=C\CCC(C)(C#CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate?
The InChIKey is NRICEHJKFHLDOZ-LUAWRHEFSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-9-11-12-14-18(6,15-13-16(19)20-10-2)21-22(7,8)17(3,4)5/h9,11H,10,12,14H2,1-8H3/b11-9-.
What are the key properties of ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate?
ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-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 (Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-7-en-2-ynoate is sourced from PubChem (CID 11034701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).