butan-2-yloxy-dimethyl-propylsilane

C9H22OSi — CID 87645546

IUPACbutan-2-yloxy-dimethyl-propylsilane
SMILESCCC[Si](C)(C)OC(C)CC
InChIInChI=1S/C9H22OSi/c1-6-8-11(4,5)10-9(3)7-2/h9H,6-8H2,1-5H3
InChIKeyDARAHUCKUDSGCI-UHFFFAOYSA-N
MW174.36 g/mol
LogP3.42
Rot. Bonds5

About butan-2-yloxy-dimethyl-propylsilane

butan-2-yloxy-dimethyl-propylsilane (PubChem CID 87645546) has the molecular formula C9H22OSi and a molecular weight of 174.36 g/mol. Its IUPAC name is butan-2-yloxy-dimethyl-propylsilane.

Molecular Properties

Compound Namebutan-2-yloxy-dimethyl-propylsilane
PubChem CID87645546
Molecular FormulaC9H22OSi
Molecular Weight174.36 g/mol
Exact Mass174.14
IUPAC Namebutan-2-yloxy-dimethyl-propylsilane
SMILESCCC[Si](C)(C)OC(C)CC
InChIInChI=1S/C9H22OSi/c1-6-8-11(4,5)10-9(3)7-2/h9H,6-8H2,1-5H3
InChIKeyDARAHUCKUDSGCI-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 butan-2-yloxy-dimethyl-propylsilane?
The IUPAC name of butan-2-yloxy-dimethyl-propylsilane (CID 87645546) is butan-2-yloxy-dimethyl-propylsilane.
What is the SMILES notation for butan-2-yloxy-dimethyl-propylsilane?
The canonical SMILES for butan-2-yloxy-dimethyl-propylsilane is CCC[Si](C)(C)OC(C)CC.
What is the InChIKey of butan-2-yloxy-dimethyl-propylsilane?
The InChIKey is DARAHUCKUDSGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSi/c1-6-8-11(4,5)10-9(3)7-2/h9H,6-8H2,1-5H3.
What are the key properties of butan-2-yloxy-dimethyl-propylsilane?
butan-2-yloxy-dimethyl-propylsilane has a molecular weight of 174.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-dimethyl-propylsilane is sourced from PubChem (CID 87645546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).