tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane

C17H32Si — CID 71339479

IUPACtert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane
SMILESCCC=C=C(C1CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32Si/c1-7-8-14-16(15-12-10-9-11-13-15)18(5,6)17(2,3)4/h8,15H,7,9-13H2,1-6H3
InChIKeyJRQZHHUXMAPRRO-UHFFFAOYSA-N
MW264.53 g/mol
LogP6.11
Rot. Bonds3

About tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane

tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane (PubChem CID 71339479) has the molecular formula C17H32Si and a molecular weight of 264.53 g/mol. Its IUPAC name is tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane
PubChem CID71339479
Molecular FormulaC17H32Si
Molecular Weight264.53 g/mol
Exact Mass264.23
IUPAC Nametert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane
SMILESCCC=C=C(C1CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32Si/c1-7-8-14-16(15-12-10-9-11-13-15)18(5,6)17(2,3)4/h8,15H,7,9-13H2,1-6H3
InChIKeyJRQZHHUXMAPRRO-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.53
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane?
The IUPAC name of tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane (CID 71339479) is tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane?
The canonical SMILES for tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane is CCC=C=C(C1CCCCC1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane?
The InChIKey is JRQZHHUXMAPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32Si/c1-7-8-14-16(15-12-10-9-11-13-15)18(5,6)17(2,3)4/h8,15H,7,9-13H2,1-6H3.
What are the key properties of tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane?
tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane has a molecular weight of 264.53 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-cyclohexylpenta-1,2-dienyl)-dimethylsilane is sourced from PubChem (CID 71339479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).