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

C21H34OSi — CID 86212923

IUPAC4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(C)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C21H34OSi/c1-5-23(6-2,7-3)22-18-12-17-21(4,19-13-8-9-14-19)20-15-10-11-16-20/h8-11,13-16,19-20H,5-7,12,17-18H2,1-4H3
InChIKeyPXSZGHKCUAFRMD-UHFFFAOYSA-N
MW330.59 g/mol
LogP6.28
Rot. Bonds10

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

4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane (PubChem CID 86212923) has the molecular formula C21H34OSi and a molecular weight of 330.59 g/mol. Its IUPAC name is 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane.

Molecular Properties

Compound Name4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane
PubChem CID86212923
Molecular FormulaC21H34OSi
Molecular Weight330.59 g/mol
Exact Mass330.24
IUPAC Name4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(C)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C21H34OSi/c1-5-23(6-2,7-3)22-18-12-17-21(4,19-13-8-9-14-19)20-15-10-11-16-20/h8-11,13-16,19-20H,5-7,12,17-18H2,1-4H3
InChIKeyPXSZGHKCUAFRMD-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane?
The IUPAC name of 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane (CID 86212923) is 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane.
What is the SMILES notation for 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane?
The canonical SMILES for 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane is CC[Si](CC)(CC)OCCCC(C)(C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane?
The InChIKey is PXSZGHKCUAFRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34OSi/c1-5-23(6-2,7-3)22-18-12-17-21(4,19-13-8-9-14-19)20-15-10-11-16-20/h8-11,13-16,19-20H,5-7,12,17-18H2,1-4H3.
What are the key properties of 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane?
4,4-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 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triethylsilane is sourced from PubChem (CID 86212923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).