[2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane

C21H36O2Si2 — CID 18622720

IUPAC[2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
SMILESC[Si](C)(C)OCCCC(CO[Si](C)(C)C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C21H36O2Si2/c1-24(2,3)22-17-11-16-21(18-23-25(4,5)6,19-12-7-8-13-19)20-14-9-10-15-20/h7-10,12,14H,11,13,15-18H2,1-6H3
InChIKeyPSCQVIVKVQNECE-UHFFFAOYSA-N
MW376.69 g/mol
LogP6.23
Rot. Bonds10

About [2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane

[2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane (PubChem CID 18622720) has the molecular formula C21H36O2Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is [2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane.

Molecular Properties

Compound Name[2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
PubChem CID18622720
Molecular FormulaC21H36O2Si2
Molecular Weight376.69 g/mol
Exact Mass376.23
IUPAC Name[2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
SMILESC[Si](C)(C)OCCCC(CO[Si](C)(C)C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C21H36O2Si2/c1-24(2,3)22-17-11-16-21(18-23-25(4,5)6,19-12-7-8-13-19)20-14-9-10-15-20/h7-10,12,14H,11,13,15-18H2,1-6H3
InChIKeyPSCQVIVKVQNECE-UHFFFAOYSA-N
XLogP6.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The IUPAC name of [2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane (CID 18622720) is [2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane.
What is the SMILES notation for [2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The canonical SMILES for [2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane is C[Si](C)(C)OCCCC(CO[Si](C)(C)C)(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of [2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The InChIKey is PSCQVIVKVQNECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2Si2/c1-24(2,3)22-17-11-16-21(18-23-25(4,5)6,19-12-7-8-13-19)20-14-9-10-15-20/h7-10,12,14H,11,13,15-18H2,1-6H3.
What are the key properties of [2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
[2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane has a molecular weight of 376.69 g/mol, XLogP of 6.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane is sourced from PubChem (CID 18622720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).