3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane

C21H34OSi — CID 86212938

IUPAC3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane
SMILESCCC(CCO[Si](CC)(CC)CC)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C21H34OSi/c1-5-21(19-13-9-10-14-19,20-15-11-12-16-20)17-18-22-23(6-2,7-3)8-4/h9-16,19-20H,5-8,17-18H2,1-4H3
InChIKeyPQBWHMYXOHYNDY-UHFFFAOYSA-N
MW330.59 g/mol
LogP6.28
Rot. Bonds10

About 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane

3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane (PubChem CID 86212938) has the molecular formula C21H34OSi and a molecular weight of 330.59 g/mol. Its IUPAC name is 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane.

Molecular Properties

Compound Name3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane
PubChem CID86212938
Molecular FormulaC21H34OSi
Molecular Weight330.59 g/mol
Exact Mass330.24
IUPAC Name3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane
SMILESCCC(CCO[Si](CC)(CC)CC)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C21H34OSi/c1-5-21(19-13-9-10-14-19,20-15-11-12-16-20)17-18-22-23(6-2,7-3)8-4/h9-16,19-20H,5-8,17-18H2,1-4H3
InChIKeyPQBWHMYXOHYNDY-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane
CID 10891131
[(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane
CID 102150886
lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane
CID 134942751
tert-butyl-[(E,2S,5S)-5-cyclohepta-2,4,6-trien-1-yl-2,5-dimethylhept-3-enoxy]-dimethylsilane
CID 154712103
2,2-Bis(cyclopentadienyl)-5-trimethylsiloxypentane
CID 12095357
4,4-Di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane
CID 18622686
3,3-Di(cyclopenta-1,3-dien-1-yl)pentoxy-trimethylsilane
CID 18622770
3,3-Di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane
CID 18622818
4,4-Di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane
CID 86212923
3,3-Di(cyclopenta-2,4-dien-1-yl)pentoxy-trimethylsilane
CID 86213014
2,2-Bis(cyclopentadienyl)-5-trimethylsiloxypentane zirconium dichloride
CID 131723810
2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt
CID 131723811

Frequently Asked Questions

What is the IUPAC name of 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane?
The IUPAC name of 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane (CID 86212938) is 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane.
What is the SMILES notation for 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane?
The canonical SMILES for 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane is CCC(CCO[Si](CC)(CC)CC)(C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane?
The InChIKey is PQBWHMYXOHYNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34OSi/c1-5-21(19-13-9-10-14-19,20-15-11-12-16-20)17-18-22-23(6-2,7-3)8-4/h9-16,19-20H,5-8,17-18H2,1-4H3.
What are the key properties of 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane?
3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane has a molecular weight of 330.59 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane is sourced from PubChem (CID 86212938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).