1-butan-2-yloxy-1-(chloromethyl)silinane

C10H21ClOSi — CID 598683

IUPAC1-butan-2-yloxy-1-(chloromethyl)silinane
SMILESCCC(C)O[Si]1(CCl)CCCCC1
InChIInChI=1S/C10H21ClOSi/c1-3-10(2)12-13(9-11)7-5-4-6-8-13/h10H,3-9H2,1-2H3
InChIKeyAPGBTFMXVRFSQC-UHFFFAOYSA-N
MW220.82 g/mol
LogP3.71
Rot. Bonds4

About 1-butan-2-yloxy-1-(chloromethyl)silinane

1-butan-2-yloxy-1-(chloromethyl)silinane (PubChem CID 598683) has the molecular formula C10H21ClOSi and a molecular weight of 220.82 g/mol. Its IUPAC name is 1-butan-2-yloxy-1-(chloromethyl)silinane.

Molecular Properties

Compound Name1-butan-2-yloxy-1-(chloromethyl)silinane
PubChem CID598683
Molecular FormulaC10H21ClOSi
Molecular Weight220.82 g/mol
Exact Mass220.11
IUPAC Name1-butan-2-yloxy-1-(chloromethyl)silinane
SMILESCCC(C)O[Si]1(CCl)CCCCC1
InChIInChI=1S/C10H21ClOSi/c1-3-10(2)12-13(9-11)7-5-4-6-8-13/h10H,3-9H2,1-2H3
InChIKeyAPGBTFMXVRFSQC-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.82
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-1-(chloromethyl)silinane?
The IUPAC name of 1-butan-2-yloxy-1-(chloromethyl)silinane (CID 598683) is 1-butan-2-yloxy-1-(chloromethyl)silinane.
What is the SMILES notation for 1-butan-2-yloxy-1-(chloromethyl)silinane?
The canonical SMILES for 1-butan-2-yloxy-1-(chloromethyl)silinane is CCC(C)O[Si]1(CCl)CCCCC1.
What is the InChIKey of 1-butan-2-yloxy-1-(chloromethyl)silinane?
The InChIKey is APGBTFMXVRFSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClOSi/c1-3-10(2)12-13(9-11)7-5-4-6-8-13/h10H,3-9H2,1-2H3.
What are the key properties of 1-butan-2-yloxy-1-(chloromethyl)silinane?
1-butan-2-yloxy-1-(chloromethyl)silinane has a molecular weight of 220.82 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-1-(chloromethyl)silinane is sourced from PubChem (CID 598683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).