ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate

C17H30O3Si — CID 102362687

IUPACethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate
SMILESC=CC(CCCC#CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-8-15(20-21(6,7)17(3,4)5)13-11-10-12-14-16(18)19-9-2/h8,15H,1,9-11,13H2,2-7H3
InChIKeyDHQPTAVMPOGJJD-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.30
Rot. Bonds7

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

ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate (PubChem CID 102362687) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate.

Molecular Properties

Compound Nameethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate
PubChem CID102362687
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Nameethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate
SMILESC=CC(CCCC#CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-8-15(20-21(6,7)17(3,4)5)13-11-10-12-14-16(18)19-9-2/h8,15H,1,9-11,13H2,2-7H3
InChIKeyDHQPTAVMPOGJJD-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.30
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_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9-Trimethylsilylnona-1,2-dien-8-yn-4-yl acetate
CID 141310988
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
[(4S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-1-en-5-yn-4-yl] but-2-ynoate
CID 134834140
[(3S)-1-trimethylsilylhept-6-en-1-yn-3-yl] acetate
CID 135023701
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnon-8-en-2-ynoate
CID 135072439
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
CID 11380641
(7E,9Z)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclotetradeca-7,9-dien-3-yn-2-one
CID 58714750
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
6-[Tert-butyl(dimethyl)silyl]oxy-1-oxacyclotetradeca-7,9-dien-3-yn-2-one
CID 72399653
[(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649640
[(4R,6R)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649642

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate?
The IUPAC name of ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate (CID 102362687) is ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate.
What is the SMILES notation for ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate?
The canonical SMILES for ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate is C=CC(CCCC#CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate?
The InChIKey is DHQPTAVMPOGJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-8-15(20-21(6,7)17(3,4)5)13-11-10-12-14-16(18)19-9-2/h8,15H,1,9-11,13H2,2-7H3.
What are the key properties of ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate?
ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate has a molecular weight of 310.51 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate is sourced from PubChem (CID 102362687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).