tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane

C18H34OSi — CID 134982852

IUPACtert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane
SMILESCCC1=CCC=C1CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-7-16-13-11-14-17(16)12-9-8-10-15-19-20(5,6)18(2,3)4/h13-14H,7-12,15H2,1-6H3
InChIKeyWOCMWNLKOPUPEN-UHFFFAOYSA-N
MW294.55 g/mol
LogP6.24
Rot. Bonds8

About tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane

tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane (PubChem CID 134982852) has the molecular formula C18H34OSi and a molecular weight of 294.55 g/mol. Its IUPAC name is tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane
PubChem CID134982852
Molecular FormulaC18H34OSi
Molecular Weight294.55 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane
SMILESCCC1=CCC=C1CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-7-16-13-11-14-17(16)12-9-8-10-15-19-20(5,6)18(2,3)4/h13-14H,7-12,15H2,1-6H3
InChIKeyWOCMWNLKOPUPEN-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.55
LogP ≤ 56.24
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'}

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Related Compounds

Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Linoleyl alcohol tms ether
CID 15635192
Trimethyl((9Z,11E)-9,11-tetradecadien-1-yloxy)silane
CID 20838897
cis-9-octadecenol, tBDMS
CID 6430273
(9E,12Z)-Tetradeca-9,12-dien-1-ol trimethylsilyl ether
CID 91697185
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)octyloxy-
CID 91697248
(Z,E)-Tetradeca-9,12-dienol, tert-Butyldimethylsilyl ether
CID 91697354
cis-9-Tetradecen-1-ol, trimethylsilyl ether
CID 91697356
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)nonyloxy-
CID 91710972
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)undecyloxy-
CID 91710973
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)dodecyloxy-
CID 91710974

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane (CID 134982852) is tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane is CCC1=CCC=C1CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane?
The InChIKey is WOCMWNLKOPUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-7-16-13-11-14-17(16)12-9-8-10-15-19-20(5,6)18(2,3)4/h13-14H,7-12,15H2,1-6H3.
What are the key properties of tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane?
tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane has a molecular weight of 294.55 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-(5-ethylcyclopenta-1,4-dien-1-yl)pentoxy]-dimethylsilane is sourced from PubChem (CID 134982852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).