cyclopentylmethyl-diethoxy-propan-2-ylsilane

C13H28O2Si — CID 18412970

IUPACcyclopentylmethyl-diethoxy-propan-2-ylsilane
SMILESCCO[Si](CC1CCCC1)(OCC)C(C)C
InChIInChI=1S/C13H28O2Si/c1-5-14-16(12(3)4,15-6-2)11-13-9-7-8-10-13/h12-13H,5-11H2,1-4H3
InChIKeyGVXMOHYBOCQZNG-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.10
Rot. Bonds7

About cyclopentylmethyl-diethoxy-propan-2-ylsilane

cyclopentylmethyl-diethoxy-propan-2-ylsilane (PubChem CID 18412970) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is cyclopentylmethyl-diethoxy-propan-2-ylsilane.

Molecular Properties

Compound Namecyclopentylmethyl-diethoxy-propan-2-ylsilane
PubChem CID18412970
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Namecyclopentylmethyl-diethoxy-propan-2-ylsilane
SMILESCCO[Si](CC1CCCC1)(OCC)C(C)C
InChIInChI=1S/C13H28O2Si/c1-5-14-16(12(3)4,15-6-2)11-13-9-7-8-10-13/h12-13H,5-11H2,1-4H3
InChIKeyGVXMOHYBOCQZNG-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
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 cyclopentylmethyl-diethoxy-propan-2-ylsilane?
The IUPAC name of cyclopentylmethyl-diethoxy-propan-2-ylsilane (CID 18412970) is cyclopentylmethyl-diethoxy-propan-2-ylsilane.
What is the SMILES notation for cyclopentylmethyl-diethoxy-propan-2-ylsilane?
The canonical SMILES for cyclopentylmethyl-diethoxy-propan-2-ylsilane is CCO[Si](CC1CCCC1)(OCC)C(C)C.
What is the InChIKey of cyclopentylmethyl-diethoxy-propan-2-ylsilane?
The InChIKey is GVXMOHYBOCQZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-5-14-16(12(3)4,15-6-2)11-13-9-7-8-10-13/h12-13H,5-11H2,1-4H3.
What are the key properties of cyclopentylmethyl-diethoxy-propan-2-ylsilane?
cyclopentylmethyl-diethoxy-propan-2-ylsilane has a molecular weight of 244.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl-diethoxy-propan-2-ylsilane is sourced from PubChem (CID 18412970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).