tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane

C18H34OSi — CID 134982642

IUPACtert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane
SMILESCCCCC1=CC(CO[Si](C)(C)C(C)(C)C)C=C1CC
InChIInChI=1S/C18H34OSi/c1-8-10-11-17-13-15(12-16(17)9-2)14-19-20(6,7)18(3,4)5/h12-13,15H,8-11,14H2,1-7H3
InChIKeyHMXDYEGGSDYCAH-UHFFFAOYSA-N
MW294.56 g/mol
LogP6.09
Rot. Bonds7

About tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane

tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane (PubChem CID 134982642) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane
PubChem CID134982642
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane
SMILESCCCCC1=CC(CO[Si](C)(C)C(C)(C)C)C=C1CC
InChIInChI=1S/C18H34OSi/c1-8-10-11-17-13-15(12-16(17)9-2)14-19-20(6,7)18(3,4)5/h12-13,15H,8-11,14H2,1-7H3
InChIKeyHMXDYEGGSDYCAH-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane (CID 134982642) is tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane is CCCCC1=CC(CO[Si](C)(C)C(C)(C)C)C=C1CC.
What is the InChIKey of tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane?
The InChIKey is HMXDYEGGSDYCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-8-10-11-17-13-15(12-16(17)9-2)14-19-20(6,7)18(3,4)5/h12-13,15H,8-11,14H2,1-7H3.
What are the key properties of tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane?
tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 134982642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).