diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane

C27H32O3Si — CID 87375652

IUPACdiethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane
SMILESC=C(C)COCCC[Si](OCC)(OCC)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C27H32O3Si/c1-5-29-31(30-6-2,18-8-17-28-19-20(3)4)25-16-14-23-12-11-21-9-7-10-22-13-15-24(25)27(23)26(21)22/h7,9-16H,3,5-6,8,17-19H2,1-2,4H3
InChIKeyDKIGICCYAJNMAZ-UHFFFAOYSA-N
MW432.64 g/mol
LogP6.29
Rot. Bonds11

About diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane

diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane (PubChem CID 87375652) has the molecular formula C27H32O3Si and a molecular weight of 432.64 g/mol. Its IUPAC name is diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane.

Molecular Properties

Compound Namediethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane
PubChem CID87375652
Molecular FormulaC27H32O3Si
Molecular Weight432.64 g/mol
Exact Mass432.21
IUPAC Namediethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane
SMILESC=C(C)COCCC[Si](OCC)(OCC)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C27H32O3Si/c1-5-29-31(30-6-2,18-8-17-28-19-20(3)4)25-16-14-23-12-11-21-9-7-10-22-13-15-24(25)27(23)26(21)22/h7,9-16H,3,5-6,8,17-19H2,1-2,4H3
InChIKeyDKIGICCYAJNMAZ-UHFFFAOYSA-N
XLogP6.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.64
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane?
The IUPAC name of diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane (CID 87375652) is diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane.
What is the SMILES notation for diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane?
The canonical SMILES for diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane is C=C(C)COCCC[Si](OCC)(OCC)c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane?
The InChIKey is DKIGICCYAJNMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O3Si/c1-5-29-31(30-6-2,18-8-17-28-19-20(3)4)25-16-14-23-12-11-21-9-7-10-22-13-15-24(25)27(23)26(21)22/h7,9-16H,3,5-6,8,17-19H2,1-2,4H3.
What are the key properties of diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane?
diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane has a molecular weight of 432.64 g/mol, XLogP of 6.29, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[3-(2-methylprop-2-enoxy)propyl]-pyren-1-ylsilane is sourced from PubChem (CID 87375652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).