2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol

C13H18O2Si — CID 87994467

IUPAC2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol
SMILESC[Si](OCCO)(C1=CCC=C1)C1=CCC=C1
InChIInChI=1S/C13H18O2Si/c1-16(15-11-10-14,12-6-2-3-7-12)13-8-4-5-9-13/h2,4,6-9,14H,3,5,10-11H2,1H3
InChIKeyVUWBLCLBSJTGBK-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.42
Rot. Bonds5

About 2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol

2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol (PubChem CID 87994467) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol.

Molecular Properties

Compound Name2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol
PubChem CID87994467
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Name2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol
SMILESC[Si](OCCO)(C1=CCC=C1)C1=CCC=C1
InChIInChI=1S/C13H18O2Si/c1-16(15-11-10-14,12-6-2-3-7-12)13-8-4-5-9-13/h2,4,6-9,14H,3,5,10-11H2,1H3
InChIKeyVUWBLCLBSJTGBK-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol?
The IUPAC name of 2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol (CID 87994467) is 2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol.
What is the SMILES notation for 2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol?
The canonical SMILES for 2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol is C[Si](OCCO)(C1=CCC=C1)C1=CCC=C1.
What is the InChIKey of 2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol?
The InChIKey is VUWBLCLBSJTGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-16(15-11-10-14,12-6-2-3-7-12)13-8-4-5-9-13/h2,4,6-9,14H,3,5,10-11H2,1H3.
What are the key properties of 2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol?
2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol has a molecular weight of 234.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(cyclopenta-1,4-dien-1-yl)-methylsilyl]oxyethanol is sourced from PubChem (CID 87994467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).