tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane

C20H38OSi — CID 11220984

IUPACtert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane
SMILESCCCCCC/C=C/C1CCC(O[Si](C)(C)C(C)(C)C)=C1C
InChIInChI=1S/C20H38OSi/c1-8-9-10-11-12-13-14-18-15-16-19(17(18)2)21-22(6,7)20(3,4)5/h13-14,18H,8-12,15-16H2,1-7H3/b14-13+
InChIKeyVUJZJCPYCLRDGA-BUHFOSPRSA-N
MW322.61 g/mol
LogP7.22
Rot. Bonds8

About tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane

tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane (PubChem CID 11220984) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane
PubChem CID11220984
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Nametert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane
SMILESCCCCCC/C=C/C1CCC(O[Si](C)(C)C(C)(C)C)=C1C
InChIInChI=1S/C20H38OSi/c1-8-9-10-11-12-13-14-18-15-16-19(17(18)2)21-22(6,7)20(3,4)5/h13-14,18H,8-12,15-16H2,1-7H3/b14-13+
InChIKeyVUJZJCPYCLRDGA-BUHFOSPRSA-N
XLogP7.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

(3-But-3-enylcyclopenten-1-yl)oxy-trimethylsilane
CID 10375839
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
beta-Citronellol, TBDMS derivative
CID 11043851
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
CID 11244074
[(3-Ethenyl-2-methylcyclopent-1-en-1-yl)oxy](trimethyl)silane
CID 12870159
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
Tert-butyl-(3-ethenylcyclopenten-1-yl)oxy-dimethylsilane
CID 15123082
Tert-butyl-dimethyl-(3-prop-2-enylcyclohexen-1-yl)oxysilane
CID 15691232
tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
CID 16732642
(r)-((3-(But-3-en-1-yl)-3-methylcyclopent-1-en-1-yl)oxy)triethylsilane
CID 25112423

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane (CID 11220984) is tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane is CCCCCC/C=C/C1CCC(O[Si](C)(C)C(C)(C)C)=C1C.
What is the InChIKey of tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane?
The InChIKey is VUJZJCPYCLRDGA-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H38OSi/c1-8-9-10-11-12-13-14-18-15-16-19(17(18)2)21-22(6,7)20(3,4)5/h13-14,18H,8-12,15-16H2,1-7H3/b14-13+.
What are the key properties of tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane?
tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane has a molecular weight of 322.61 g/mol, XLogP of 7.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-methyl-3-[(E)-oct-1-enyl]cyclopenten-1-yl]oxysilane is sourced from PubChem (CID 11220984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).