butoxy(oxan-2-yl)silane

C9H20O2Si — CID 123509747

IUPACbutoxy(oxan-2-yl)silane
SMILESCCCCO[SiH2]C1CCCCO1
InChIInChI=1S/C9H20O2Si/c1-2-3-8-11-12-9-6-4-5-7-10-9/h9H,2-8,12H2,1H3
InChIKeyULAQJCKCIVPJPR-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.41
Rot. Bonds5

About butoxy(oxan-2-yl)silane

butoxy(oxan-2-yl)silane (PubChem CID 123509747) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is butoxy(oxan-2-yl)silane.

Molecular Properties

Compound Namebutoxy(oxan-2-yl)silane
PubChem CID123509747
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Namebutoxy(oxan-2-yl)silane
SMILESCCCCO[SiH2]C1CCCCO1
InChIInChI=1S/C9H20O2Si/c1-2-3-8-11-12-9-6-4-5-7-10-9/h9H,2-8,12H2,1H3
InChIKeyULAQJCKCIVPJPR-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 butoxy(oxan-2-yl)silane?
The IUPAC name of butoxy(oxan-2-yl)silane (CID 123509747) is butoxy(oxan-2-yl)silane.
What is the SMILES notation for butoxy(oxan-2-yl)silane?
The canonical SMILES for butoxy(oxan-2-yl)silane is CCCCO[SiH2]C1CCCCO1.
What is the InChIKey of butoxy(oxan-2-yl)silane?
The InChIKey is ULAQJCKCIVPJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-2-3-8-11-12-9-6-4-5-7-10-9/h9H,2-8,12H2,1H3.
What are the key properties of butoxy(oxan-2-yl)silane?
butoxy(oxan-2-yl)silane has a molecular weight of 188.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(oxan-2-yl)silane is sourced from PubChem (CID 123509747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).