hexan-3-yloxysilane

C6H16OSi — CID 123896818

IUPAChexan-3-yloxysilane
SMILESCCCC(CC)O[SiH3]
InChIInChI=1S/C6H16OSi/c1-3-5-6(4-2)7-8/h6H,3-5H2,1-2,8H3
InChIKeyNGVPYFOFNVCBBV-UHFFFAOYSA-N
MW132.28 g/mol
LogP0.86
Rot. Bonds4

About hexan-3-yloxysilane

hexan-3-yloxysilane (PubChem CID 123896818) has the molecular formula C6H16OSi and a molecular weight of 132.28 g/mol. Its IUPAC name is hexan-3-yloxysilane.

Molecular Properties

Compound Namehexan-3-yloxysilane
PubChem CID123896818
Molecular FormulaC6H16OSi
Molecular Weight132.28 g/mol
Exact Mass132.10
IUPAC Namehexan-3-yloxysilane
SMILESCCCC(CC)O[SiH3]
InChIInChI=1S/C6H16OSi/c1-3-5-6(4-2)7-8/h6H,3-5H2,1-2,8H3
InChIKeyNGVPYFOFNVCBBV-UHFFFAOYSA-N
XLogP0.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.28
LogP ≤ 50.86
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 hexan-3-yloxysilane?
The IUPAC name of hexan-3-yloxysilane (CID 123896818) is hexan-3-yloxysilane.
What is the SMILES notation for hexan-3-yloxysilane?
The canonical SMILES for hexan-3-yloxysilane is CCCC(CC)O[SiH3].
What is the InChIKey of hexan-3-yloxysilane?
The InChIKey is NGVPYFOFNVCBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16OSi/c1-3-5-6(4-2)7-8/h6H,3-5H2,1-2,8H3.
What are the key properties of hexan-3-yloxysilane?
hexan-3-yloxysilane has a molecular weight of 132.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-yloxysilane is sourced from PubChem (CID 123896818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).