heptan-3-yloxysilane

C7H18OSi — CID 123946710

IUPACheptan-3-yloxysilane
SMILESCCCCC(CC)O[SiH3]
InChIInChI=1S/C7H18OSi/c1-3-5-6-7(4-2)8-9/h7H,3-6H2,1-2,9H3
InChIKeyAKZKZIRJVJEJTD-UHFFFAOYSA-N
MW146.31 g/mol
LogP1.25
Rot. Bonds5

About heptan-3-yloxysilane

heptan-3-yloxysilane (PubChem CID 123946710) has the molecular formula C7H18OSi and a molecular weight of 146.31 g/mol. Its IUPAC name is heptan-3-yloxysilane.

Molecular Properties

Compound Nameheptan-3-yloxysilane
PubChem CID123946710
Molecular FormulaC7H18OSi
Molecular Weight146.31 g/mol
Exact Mass146.11
IUPAC Nameheptan-3-yloxysilane
SMILESCCCCC(CC)O[SiH3]
InChIInChI=1S/C7H18OSi/c1-3-5-6-7(4-2)8-9/h7H,3-6H2,1-2,9H3
InChIKeyAKZKZIRJVJEJTD-UHFFFAOYSA-N
XLogP1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.31
LogP ≤ 51.25
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 heptan-3-yloxysilane?
The IUPAC name of heptan-3-yloxysilane (CID 123946710) is heptan-3-yloxysilane.
What is the SMILES notation for heptan-3-yloxysilane?
The canonical SMILES for heptan-3-yloxysilane is CCCCC(CC)O[SiH3].
What is the InChIKey of heptan-3-yloxysilane?
The InChIKey is AKZKZIRJVJEJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18OSi/c1-3-5-6-7(4-2)8-9/h7H,3-6H2,1-2,9H3.
What are the key properties of heptan-3-yloxysilane?
heptan-3-yloxysilane has a molecular weight of 146.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-3-yloxysilane is sourced from PubChem (CID 123946710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).