butyl(heptan-4-yloxy)silane

C11H26OSi — CID 123561219

IUPACbutyl(heptan-4-yloxy)silane
SMILESCCCC[SiH2]OC(CCC)CCC
InChIInChI=1S/C11H26OSi/c1-4-7-10-13-12-11(8-5-2)9-6-3/h11H,4-10,13H2,1-3H3
InChIKeyNHOQAVWCIVCFSK-UHFFFAOYSA-N
MW202.41 g/mol
LogP3.27
Rot. Bonds9

About butyl(heptan-4-yloxy)silane

butyl(heptan-4-yloxy)silane (PubChem CID 123561219) has the molecular formula C11H26OSi and a molecular weight of 202.41 g/mol. Its IUPAC name is butyl(heptan-4-yloxy)silane.

Molecular Properties

Compound Namebutyl(heptan-4-yloxy)silane
PubChem CID123561219
Molecular FormulaC11H26OSi
Molecular Weight202.41 g/mol
Exact Mass202.18
IUPAC Namebutyl(heptan-4-yloxy)silane
SMILESCCCC[SiH2]OC(CCC)CCC
InChIInChI=1S/C11H26OSi/c1-4-7-10-13-12-11(8-5-2)9-6-3/h11H,4-10,13H2,1-3H3
InChIKeyNHOQAVWCIVCFSK-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl(heptan-4-yloxy)silane?
The IUPAC name of butyl(heptan-4-yloxy)silane (CID 123561219) is butyl(heptan-4-yloxy)silane.
What is the SMILES notation for butyl(heptan-4-yloxy)silane?
The canonical SMILES for butyl(heptan-4-yloxy)silane is CCCC[SiH2]OC(CCC)CCC.
What is the InChIKey of butyl(heptan-4-yloxy)silane?
The InChIKey is NHOQAVWCIVCFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26OSi/c1-4-7-10-13-12-11(8-5-2)9-6-3/h11H,4-10,13H2,1-3H3.
What are the key properties of butyl(heptan-4-yloxy)silane?
butyl(heptan-4-yloxy)silane has a molecular weight of 202.41 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(heptan-4-yloxy)silane is sourced from PubChem (CID 123561219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).