methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate

C17H30O3Si — CID 14903688

IUPACmethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate
SMILESC/C=C\C(C)(CCC#CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-9-13-17(5,14-11-10-12-15(18)19-6)20-21(7,8)16(2,3)4/h9,13H,11,14H2,1-8H3/b13-9-
InChIKeyOKXIWFDWOQSCTR-LCYFTJDESA-N
MW310.51 g/mol
LogP4.30
Rot. Bonds5

About methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate

methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate (PubChem CID 14903688) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate.

Molecular Properties

Compound Namemethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate
PubChem CID14903688
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Namemethyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate
SMILESC/C=C\C(C)(CCC#CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-9-13-17(5,14-11-10-12-15(18)19-6)20-21(7,8)16(2,3)4/h9,13H,11,14H2,1-8H3/b13-9-
InChIKeyOKXIWFDWOQSCTR-LCYFTJDESA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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': '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 methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate with MolForge

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Related Compounds

dimethyl nona-2,7-diynedioate
CID 11858703
methyl tetradec-13-en-2,8-diynoate
CID 10944315
methyl 5,5-dimethylhex-2-ynoate
CID 64534957
(3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-7-ene-1,3-diol
CID 91130793
trimethyl (E)-oct-6-en-1-yne-1,4,4-tricarboxylate
CID 101012124
ethyl 6-[tert-butyl(dimethyl)silyl]oxy-8-oxooct-2-ynoate
CID 71512418
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
CID 10926656
tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 173222661
methyl 4-[(1S,2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclopentyl]but-2-ynoate
CID 11617570
methyl undeca-2,10-diynoate
CID 125474899
methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate
CID 67983384
(E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid
CID 11101162

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate?
The IUPAC name of methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate (CID 14903688) is methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate.
What is the SMILES notation for methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate?
The canonical SMILES for methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate is C/C=C\C(C)(CCC#CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate?
The InChIKey is OKXIWFDWOQSCTR-LCYFTJDESA-N. The full InChI is InChI=1S/C17H30O3Si/c1-9-13-17(5,14-11-10-12-15(18)19-6)20-21(7,8)16(2,3)4/h9,13H,11,14H2,1-8H3/b13-9-.
What are the key properties of methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate?
methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate has a molecular weight of 310.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate is sourced from PubChem (CID 14903688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).