[(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane

C31H64O2Si — CID 89050163

IUPAC[(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCCCC/C=C\CC(CO[Si](C)(C)C(C)(C)C)OCCCC
InChIInChI=1S/C31H64O2Si/c1-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(32-28-11-9-2)29-33-34(6,7)31(3,4)5/h25-26,30H,8-24,27-29H2,1-7H3/b26-25-
InChIKeyOXNITHVMKOCYIA-QPLCGJKRSA-N
MW496.94 g/mol
LogP11.01
Rot. Bonds24

About [(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane

[(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane (PubChem CID 89050163) has the molecular formula C31H64O2Si and a molecular weight of 496.94 g/mol. Its IUPAC name is [(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane
PubChem CID89050163
Molecular FormulaC31H64O2Si
Molecular Weight496.94 g/mol
Exact Mass496.47
IUPAC Name[(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCCCC/C=C\CC(CO[Si](C)(C)C(C)(C)C)OCCCC
InChIInChI=1S/C31H64O2Si/c1-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(32-28-11-9-2)29-33-34(6,7)31(3,4)5/h25-26,30H,8-24,27-29H2,1-7H3/b26-25-
InChIKeyOXNITHVMKOCYIA-QPLCGJKRSA-N
XLogP11.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.94
LogP ≤ 511.01
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'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane (CID 89050163) is [(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane is CCCCCCCCCCCCCCCC/C=C\CC(CO[Si](C)(C)C(C)(C)C)OCCCC.
What is the InChIKey of [(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is OXNITHVMKOCYIA-QPLCGJKRSA-N. The full InChI is InChI=1S/C31H64O2Si/c1-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(32-28-11-9-2)29-33-34(6,7)31(3,4)5/h25-26,30H,8-24,27-29H2,1-7H3/b26-25-.
What are the key properties of [(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane?
[(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 496.94 g/mol, XLogP of 11.01, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-butoxyhenicos-4-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 89050163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).