methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate

C18H32O2Si — CID 56935250

IUPACmethyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate
SMILESCOC(=O)CC/C=C\CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H32O2Si/c1-15(2)21(16(3)4,17(5)6)14-12-10-8-9-11-13-18(19)20-7/h8-9,15-17H,10-11,13H2,1-7H3/b9-8-
InChIKeyZMXKXENCXOFGDC-HJWRWDBZSA-N
MW308.54 g/mol
LogP5.11
Rot. Bonds7

About methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate

methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate (PubChem CID 56935250) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate.

Molecular Properties

Compound Namemethyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate
PubChem CID56935250
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Namemethyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate
SMILESCOC(=O)CC/C=C\CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H32O2Si/c1-15(2)21(16(3)4,17(5)6)14-12-10-8-9-11-13-18(19)20-7/h8-9,15-17H,10-11,13H2,1-7H3/b9-8-
InChIKeyZMXKXENCXOFGDC-HJWRWDBZSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate?
The IUPAC name of methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate (CID 56935250) is methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate.
What is the SMILES notation for methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate?
The canonical SMILES for methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate is COC(=O)CC/C=C\CC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate?
The InChIKey is ZMXKXENCXOFGDC-HJWRWDBZSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-15(2)21(16(3)4,17(5)6)14-12-10-8-9-11-13-18(19)20-7/h8-9,15-17H,10-11,13H2,1-7H3/b9-8-.
What are the key properties of methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate?
methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate has a molecular weight of 308.54 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate is sourced from PubChem (CID 56935250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).