chloro(hexan-3-yloxy)silane

C6H15ClOSi — CID 123199629

IUPACchloro(hexan-3-yloxy)silane
SMILESCCCC(CC)O[SiH2]Cl
InChIInChI=1S/C6H15ClOSi/c1-3-5-6(4-2)8-9-7/h6H,3-5,9H2,1-2H3
InChIKeyCDPRWXACJYGWDT-UHFFFAOYSA-N
MW166.72 g/mol
LogP1.82
Rot. Bonds5

About chloro(hexan-3-yloxy)silane

chloro(hexan-3-yloxy)silane (PubChem CID 123199629) has the molecular formula C6H15ClOSi and a molecular weight of 166.72 g/mol. Its IUPAC name is chloro(hexan-3-yloxy)silane.

Molecular Properties

Compound Namechloro(hexan-3-yloxy)silane
PubChem CID123199629
Molecular FormulaC6H15ClOSi
Molecular Weight166.72 g/mol
Exact Mass166.06
IUPAC Namechloro(hexan-3-yloxy)silane
SMILESCCCC(CC)O[SiH2]Cl
InChIInChI=1S/C6H15ClOSi/c1-3-5-6(4-2)8-9-7/h6H,3-5,9H2,1-2H3
InChIKeyCDPRWXACJYGWDT-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.72
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Butan-2-yloxy(chloro)silane
CID 101645105
Chloro(pentan-3-yloxy)silane
CID 123175386
Hexan-3-yloxysilane
CID 123896818
Chloro(heptan-4-yloxy)silane
CID 123935264
Pentan-2-yloxysilane
CID 123945755
Trichloro(hexan-2-yloxy)silane
CID 139637933
Dichloro(hexan-2-yloxy)silane
CID 173651341
CID 20158131
CID 20158131
Trichloro(pentan-2-yloxy)silane
CID 119096384

Frequently Asked Questions

What is the IUPAC name of chloro(hexan-3-yloxy)silane?
The IUPAC name of chloro(hexan-3-yloxy)silane (CID 123199629) is chloro(hexan-3-yloxy)silane.
What is the SMILES notation for chloro(hexan-3-yloxy)silane?
The canonical SMILES for chloro(hexan-3-yloxy)silane is CCCC(CC)O[SiH2]Cl.
What is the InChIKey of chloro(hexan-3-yloxy)silane?
The InChIKey is CDPRWXACJYGWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClOSi/c1-3-5-6(4-2)8-9-7/h6H,3-5,9H2,1-2H3.
What are the key properties of chloro(hexan-3-yloxy)silane?
chloro(hexan-3-yloxy)silane has a molecular weight of 166.72 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(hexan-3-yloxy)silane is sourced from PubChem (CID 123199629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).