2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol

C16H24O4Si — CID 23303782

IUPAC2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol
SMILESC[Si](C)(C1=CCC=C1OCCO)C1=CCC=C1OCCO
InChIInChI=1S/C16H24O4Si/c1-21(2,15-7-3-5-13(15)19-11-9-17)16-8-4-6-14(16)20-12-10-18/h5-8,17-18H,3-4,9-12H2,1-2H3
InChIKeyPKGIXCASUMGYIV-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.22
Rot. Bonds8

About 2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol

2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol (PubChem CID 23303782) has the molecular formula C16H24O4Si and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol.

Molecular Properties

Compound Name2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol
PubChem CID23303782
Molecular FormulaC16H24O4Si
Molecular Weight308.45 g/mol
Exact Mass308.14
IUPAC Name2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol
SMILESC[Si](C)(C1=CCC=C1OCCO)C1=CCC=C1OCCO
InChIInChI=1S/C16H24O4Si/c1-21(2,15-7-3-5-13(15)19-11-9-17)16-8-4-6-14(16)20-12-10-18/h5-8,17-18H,3-4,9-12H2,1-2H3
InChIKeyPKGIXCASUMGYIV-UHFFFAOYSA-N
XLogP2.22
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol with MolForge

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Related Compounds

2-[5-[[5-(2-Hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol;zirconium(4+);dichloride
CID 87993515
2-[5-[[5-(2-Hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol;zirconium(4+);dichloride
CID 87993519
Dimethyl-bis[5-(2-trimethylsilyloxyethoxy)cyclopenta-1,4-dien-1-yl]silane
CID 17784875

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol?
The IUPAC name of 2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol (CID 23303782) is 2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol.
What is the SMILES notation for 2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol?
The canonical SMILES for 2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol is C[Si](C)(C1=CCC=C1OCCO)C1=CCC=C1OCCO.
What is the InChIKey of 2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol?
The InChIKey is PKGIXCASUMGYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4Si/c1-21(2,15-7-3-5-13(15)19-11-9-17)16-8-4-6-14(16)20-12-10-18/h5-8,17-18H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol?
2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol has a molecular weight of 308.45 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-(2-hydroxyethoxy)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,4-dien-1-yl]oxyethanol is sourced from PubChem (CID 23303782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).