[2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane

C25H48O4Si — CID 173008314

IUPAC[2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane
SMILESC/C=C(/C)OC(C)CCC(CCC(C)O/C(C)=C\C)(CCC(C)O/C(C)=C\C)O[SiH3]
InChIInChI=1S/C25H48O4Si/c1-10-19(4)26-22(7)13-16-25(29-30,17-14-23(8)27-20(5)11-2)18-15-24(9)28-21(6)12-3/h10-12,22-24H,13-18H2,1-9,30H3/b19-10-,20-11-,21-12-
InChIKeyMYNRQBYHGOTIFM-XWBZMVROSA-N
MW440.74 g/mol
LogP6.35
Rot. Bonds16

About [2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane

[2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane (PubChem CID 173008314) has the molecular formula C25H48O4Si and a molecular weight of 440.74 g/mol. Its IUPAC name is [2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane.

Molecular Properties

Compound Name[2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane
PubChem CID173008314
Molecular FormulaC25H48O4Si
Molecular Weight440.74 g/mol
Exact Mass440.33
IUPAC Name[2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane
SMILESC/C=C(/C)OC(C)CCC(CCC(C)O/C(C)=C\C)(CCC(C)O/C(C)=C\C)O[SiH3]
InChIInChI=1S/C25H48O4Si/c1-10-19(4)26-22(7)13-16-25(29-30,17-14-23(8)27-20(5)11-2)18-15-24(9)28-21(6)12-3/h10-12,22-24H,13-18H2,1-9,30H3/b19-10-,20-11-,21-12-
InChIKeyMYNRQBYHGOTIFM-XWBZMVROSA-N
XLogP6.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane?
The IUPAC name of [2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane (CID 173008314) is [2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane.
What is the SMILES notation for [2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane?
The canonical SMILES for [2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane is C/C=C(/C)OC(C)CCC(CCC(C)O/C(C)=C\C)(CCC(C)O/C(C)=C\C)O[SiH3].
What is the InChIKey of [2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane?
The InChIKey is MYNRQBYHGOTIFM-XWBZMVROSA-N. The full InChI is InChI=1S/C25H48O4Si/c1-10-19(4)26-22(7)13-16-25(29-30,17-14-23(8)27-20(5)11-2)18-15-24(9)28-21(6)12-3/h10-12,22-24H,13-18H2,1-9,30H3/b19-10-,20-11-,21-12-.
What are the key properties of [2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane?
[2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane has a molecular weight of 440.74 g/mol, XLogP of 6.35, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,8-bis[[(Z)-but-2-en-2-yl]oxy]-5-[3-[(Z)-but-2-en-2-yl]oxybutyl]nonan-5-yl]oxysilane is sourced from PubChem (CID 173008314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).