2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane

C17H32O3Si — CID 68808492

IUPAC2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane
SMILESCCC[Si](OC(C)C)(OC(C)C)OC(C)(C)C1=CC=CC1
InChIInChI=1S/C17H32O3Si/c1-8-13-21(18-14(2)3,19-15(4)5)20-17(6,7)16-11-9-10-12-16/h9-11,14-15H,8,12-13H2,1-7H3
InChIKeyCZNUBWYMILMBJC-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.87
Rot. Bonds9

About 2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane

2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane (PubChem CID 68808492) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane
PubChem CID68808492
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane
SMILESCCC[Si](OC(C)C)(OC(C)C)OC(C)(C)C1=CC=CC1
InChIInChI=1S/C17H32O3Si/c1-8-13-21(18-14(2)3,19-15(4)5)20-17(6,7)16-11-9-10-12-16/h9-11,14-15H,8,12-13H2,1-7H3
InChIKeyCZNUBWYMILMBJC-UHFFFAOYSA-N
XLogP4.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.87
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 2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane?
The IUPAC name of 2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane (CID 68808492) is 2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane is CCC[Si](OC(C)C)(OC(C)C)OC(C)(C)C1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane?
The InChIKey is CZNUBWYMILMBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-8-13-21(18-14(2)3,19-15(4)5)20-17(6,7)16-11-9-10-12-16/h9-11,14-15H,8,12-13H2,1-7H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane?
2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane has a molecular weight of 312.53 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-ylpropan-2-yloxy-di(propan-2-yloxy)-propylsilane is sourced from PubChem (CID 68808492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).