[(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane

C26H50O2Si — CID 102323194

IUPAC[(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane
SMILESC#CC(CCCCCCCCC/C(C)=C/COC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H50O2Si/c1-10-26(28-29(22(2)3,23(4)5)24(6)7)19-17-15-13-11-12-14-16-18-25(8)20-21-27-9/h1,20,22-24,26H,11-19,21H2,2-9H3/b25-20+
InChIKeyPTQLVKHMTWOLLF-LKUDQCMESA-N
MW422.77 g/mol
LogP8.28
Rot. Bonds17

About [(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane

[(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 102323194) has the molecular formula C26H50O2Si and a molecular weight of 422.77 g/mol. Its IUPAC name is [(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID102323194
Molecular FormulaC26H50O2Si
Molecular Weight422.77 g/mol
Exact Mass422.36
IUPAC Name[(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane
SMILESC#CC(CCCCCCCCC/C(C)=C/COC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H50O2Si/c1-10-26(28-29(22(2)3,23(4)5)24(6)7)19-17-15-13-11-12-14-16-18-25(8)20-21-27-9/h1,20,22-24,26H,11-19,21H2,2-9H3/b25-20+
InChIKeyPTQLVKHMTWOLLF-LKUDQCMESA-N
XLogP8.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.77
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane (CID 102323194) is [(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane is C#CC(CCCCCCCCC/C(C)=C/COC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is PTQLVKHMTWOLLF-LKUDQCMESA-N. The full InChI is InChI=1S/C26H50O2Si/c1-10-26(28-29(22(2)3,23(4)5)24(6)7)19-17-15-13-11-12-14-16-18-25(8)20-21-27-9/h1,20,22-24,26H,11-19,21H2,2-9H3/b25-20+.
What are the key properties of [(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane?
[(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 422.77 g/mol, XLogP of 8.28, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-15-methoxy-13-methylpentadec-13-en-1-yn-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102323194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).