heptan-4-yloxysilane

C7H18OSi — CID 123417716

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

About heptan-4-yloxysilane

heptan-4-yloxysilane (PubChem CID 123417716) has the molecular formula C7H18OSi and a molecular weight of 146.31 g/mol. Its IUPAC name is heptan-4-yloxysilane.

Molecular Properties

Compound Nameheptan-4-yloxysilane
PubChem CID123417716
Molecular FormulaC7H18OSi
Molecular Weight146.31 g/mol
Exact Mass146.11
IUPAC Nameheptan-4-yloxysilane
SMILESCCCC(CCC)O[SiH3]
InChIInChI=1S/C7H18OSi/c1-3-5-7(8-9)6-4-2/h7H,3-6H2,1-2,9H3
InChIKeyFRVBJNXNZPBOEI-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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Related Compounds

Di(heptan-4-yloxy)-oxosilane
CID 87451998
Heptan-4-yloxy-hydroxy-oxosilane
CID 87451999
Heptan-4-yloxy(trihydroxy)silane
CID 87452000
Octan-4-yloxysilane
CID 123165561
Undecan-6-yloxysilane
CID 123179494
Heptan-2-yloxysilane
CID 123184432
Octan-3-yloxysilane
CID 123209307
Decan-5-yloxysilane
CID 123226762
Butyl(heptan-4-yloxy)silane
CID 123561219
Di(hexan-3-yloxy)silane
CID 123572995
Nonan-4-yloxysilane
CID 123629156
Nonan-5-yloxysilane
CID 123896530

Frequently Asked Questions

What is the IUPAC name of heptan-4-yloxysilane?
The IUPAC name of heptan-4-yloxysilane (CID 123417716) is heptan-4-yloxysilane.
What is the SMILES notation for heptan-4-yloxysilane?
The canonical SMILES for heptan-4-yloxysilane is CCCC(CCC)O[SiH3].
What is the InChIKey of heptan-4-yloxysilane?
The InChIKey is FRVBJNXNZPBOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18OSi/c1-3-5-7(8-9)6-4-2/h7H,3-6H2,1-2,9H3.
What are the key properties of heptan-4-yloxysilane?
heptan-4-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-4-yloxysilane is sourced from PubChem (CID 123417716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).