methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate

C19H34O4Si — CID 134887316

IUPACmethyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate
SMILESCOCC#C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C/C=C\C(=O)OC
InChIInChI=1S/C19H34O4Si/c1-18(2,3)24(8,9)23-16(12-11-15-21-6)19(4,5)14-10-13-17(20)22-7/h10,13,16H,14-15H2,1-9H3/b13-10-/t16-/m0/s1
InChIKeyFQNRIDSFQGXXOQ-DDKJEQMHSA-N
MW354.56 g/mol
LogP4.17
Rot. Bonds7

About methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate

methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate (PubChem CID 134887316) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate.

Molecular Properties

Compound Namemethyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate
PubChem CID134887316
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate
SMILESCOCC#C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C/C=C\C(=O)OC
InChIInChI=1S/C19H34O4Si/c1-18(2,3)24(8,9)23-16(12-11-15-21-6)19(4,5)14-10-13-17(20)22-7/h10,13,16H,14-15H2,1-9H3/b13-10-/t16-/m0/s1
InChIKeyFQNRIDSFQGXXOQ-DDKJEQMHSA-N
XLogP4.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate?
The IUPAC name of methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate (CID 134887316) is methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate.
What is the SMILES notation for methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate?
The canonical SMILES for methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate is COCC#C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C/C=C\C(=O)OC.
What is the InChIKey of methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate?
The InChIKey is FQNRIDSFQGXXOQ-DDKJEQMHSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-18(2,3)24(8,9)23-16(12-11-15-21-6)19(4,5)14-10-13-17(20)22-7/h10,13,16H,14-15H2,1-9H3/b13-10-/t16-/m0/s1.
What are the key properties of methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate?
methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate has a molecular weight of 354.56 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-5,5-dimethylnon-2-en-7-ynoate is sourced from PubChem (CID 134887316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).