1-butoxy-1-methylsilinane

C10H22OSi — CID 598691

IUPAC1-butoxy-1-methylsilinane
SMILESCCCCO[Si]1(C)CCCCC1
InChIInChI=1S/C10H22OSi/c1-3-4-8-11-12(2)9-6-5-7-10-12/h3-10H2,1-2H3
InChIKeyKHLHKTKZBNDXAM-UHFFFAOYSA-N
MW186.37 g/mol
LogP3.56
Rot. Bonds4

About 1-butoxy-1-methylsilinane

1-butoxy-1-methylsilinane (PubChem CID 598691) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is 1-butoxy-1-methylsilinane.

Molecular Properties

Compound Name1-butoxy-1-methylsilinane
PubChem CID598691
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Name1-butoxy-1-methylsilinane
SMILESCCCCO[Si]1(C)CCCCC1
InChIInChI=1S/C10H22OSi/c1-3-4-8-11-12(2)9-6-5-7-10-12/h3-10H2,1-2H3
InChIKeyKHLHKTKZBNDXAM-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-butoxy-1-methylsilinane?
The IUPAC name of 1-butoxy-1-methylsilinane (CID 598691) is 1-butoxy-1-methylsilinane.
What is the SMILES notation for 1-butoxy-1-methylsilinane?
The canonical SMILES for 1-butoxy-1-methylsilinane is CCCCO[Si]1(C)CCCCC1.
What is the InChIKey of 1-butoxy-1-methylsilinane?
The InChIKey is KHLHKTKZBNDXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSi/c1-3-4-8-11-12(2)9-6-5-7-10-12/h3-10H2,1-2H3.
What are the key properties of 1-butoxy-1-methylsilinane?
1-butoxy-1-methylsilinane has a molecular weight of 186.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-1-methylsilinane is sourced from PubChem (CID 598691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).