3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one

C20H36O2Si — CID 10427154

IUPAC3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one
SMILESCCCCCC(/C=C/C1=C(C)C(=O)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-8-9-10-11-18(22-23(6,7)20(3,4)5)14-12-17-13-15-19(21)16(17)2/h12,14,18H,8-11,13,15H2,1-7H3/b14-12+
InChIKeyVMBNOXTVNGPKIZ-WYMLVPIESA-N
MW336.59 g/mol
LogP6.19
Rot. Bonds8

About 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one

3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one (PubChem CID 10427154) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one
PubChem CID10427154
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one
SMILESCCCCCC(/C=C/C1=C(C)C(=O)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-8-9-10-11-18(22-23(6,7)20(3,4)5)14-12-17-13-15-19(21)16(17)2/h12,14,18H,8-11,13,15H2,1-7H3/b14-12+
InChIKeyVMBNOXTVNGPKIZ-WYMLVPIESA-N
XLogP6.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 56.19
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one (CID 10427154) is 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one is CCCCCC(/C=C/C1=C(C)C(=O)CC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one?
The InChIKey is VMBNOXTVNGPKIZ-WYMLVPIESA-N. The full InChI is InChI=1S/C20H36O2Si/c1-8-9-10-11-18(22-23(6,7)20(3,4)5)14-12-17-13-15-19(21)16(17)2/h12,14,18H,8-11,13,15H2,1-7H3/b14-12+.
What are the key properties of 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one?
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one has a molecular weight of 336.59 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 10427154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).