cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane

C12H22O3Si — CID 15185248

IUPACcyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane
SMILESCCO[Si](CC1=CC=CC1)(OCC)OCC
InChIInChI=1S/C12H22O3Si/c1-4-13-16(14-5-2,15-6-3)11-12-9-7-8-10-12/h7-9H,4-6,10-11H2,1-3H3
InChIKeyXBPXVWFMIKPOOL-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.92
Rot. Bonds8

About cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane

cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane (PubChem CID 15185248) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane
PubChem CID15185248
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Namecyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane
SMILESCCO[Si](CC1=CC=CC1)(OCC)OCC
InChIInChI=1S/C12H22O3Si/c1-4-13-16(14-5-2,15-6-3)11-12-9-7-8-10-12/h7-9H,4-6,10-11H2,1-3H3
InChIKeyXBPXVWFMIKPOOL-UHFFFAOYSA-N
XLogP2.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane?
The IUPAC name of cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane (CID 15185248) is cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane.
What is the SMILES notation for cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane?
The canonical SMILES for cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane is CCO[Si](CC1=CC=CC1)(OCC)OCC.
What is the InChIKey of cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane?
The InChIKey is XBPXVWFMIKPOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-4-13-16(14-5-2,15-6-3)11-12-9-7-8-10-12/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane?
cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane has a molecular weight of 242.39 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane is sourced from PubChem (CID 15185248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).