di(butan-2-yloxy)-dicyclopentylsilane

C18H36O2Si — CID 139991763

IUPACdi(butan-2-yloxy)-dicyclopentylsilane
SMILESCCC(C)O[Si](OC(C)CC)(C1CCCC1)C1CCCC1
InChIInChI=1S/C18H36O2Si/c1-5-15(3)19-21(20-16(4)6-2,17-11-7-8-12-17)18-13-9-10-14-18/h15-18H,5-14H2,1-4H3
InChIKeyVEDWHBSHAQXNHH-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.95
Rot. Bonds8

About di(butan-2-yloxy)-dicyclopentylsilane

di(butan-2-yloxy)-dicyclopentylsilane (PubChem CID 139991763) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is di(butan-2-yloxy)-dicyclopentylsilane.

Molecular Properties

Compound Namedi(butan-2-yloxy)-dicyclopentylsilane
PubChem CID139991763
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Namedi(butan-2-yloxy)-dicyclopentylsilane
SMILESCCC(C)O[Si](OC(C)CC)(C1CCCC1)C1CCCC1
InChIInChI=1S/C18H36O2Si/c1-5-15(3)19-21(20-16(4)6-2,17-11-7-8-12-17)18-13-9-10-14-18/h15-18H,5-14H2,1-4H3
InChIKeyVEDWHBSHAQXNHH-UHFFFAOYSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.95
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 di(butan-2-yloxy)-dicyclopentylsilane?
The IUPAC name of di(butan-2-yloxy)-dicyclopentylsilane (CID 139991763) is di(butan-2-yloxy)-dicyclopentylsilane.
What is the SMILES notation for di(butan-2-yloxy)-dicyclopentylsilane?
The canonical SMILES for di(butan-2-yloxy)-dicyclopentylsilane is CCC(C)O[Si](OC(C)CC)(C1CCCC1)C1CCCC1.
What is the InChIKey of di(butan-2-yloxy)-dicyclopentylsilane?
The InChIKey is VEDWHBSHAQXNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-5-15(3)19-21(20-16(4)6-2,17-11-7-8-12-17)18-13-9-10-14-18/h15-18H,5-14H2,1-4H3.
What are the key properties of di(butan-2-yloxy)-dicyclopentylsilane?
di(butan-2-yloxy)-dicyclopentylsilane has a molecular weight of 312.57 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)-dicyclopentylsilane is sourced from PubChem (CID 139991763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).