1-chloro-1,3-dimethylsiletane

C5H11ClSi — CID 564198

IUPAC1-chloro-1,3-dimethylsiletane
SMILESCC1C[Si](C)(Cl)C1
InChIInChI=1S/C5H11ClSi/c1-5-3-7(2,6)4-5/h5H,3-4H2,1-2H3
InChIKeyKIERXZSOGKYHRX-UHFFFAOYSA-N
MW134.68 g/mol
LogP2.45
Rot. Bonds

About 1-chloro-1,3-dimethylsiletane

1-chloro-1,3-dimethylsiletane (PubChem CID 564198) has the molecular formula C5H11ClSi and a molecular weight of 134.68 g/mol. Its IUPAC name is 1-chloro-1,3-dimethylsiletane.

Molecular Properties

Compound Name1-chloro-1,3-dimethylsiletane
PubChem CID564198
Molecular FormulaC5H11ClSi
Molecular Weight134.68 g/mol
Exact Mass134.03
IUPAC Name1-chloro-1,3-dimethylsiletane
SMILESCC1C[Si](C)(Cl)C1
InChIInChI=1S/C5H11ClSi/c1-5-3-7(2,6)4-5/h5H,3-4H2,1-2H3
InChIKeyKIERXZSOGKYHRX-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.68
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,3S)-1-chloro-1,3-dimethylsilinane
CID 91719393
1-(1,3-dimethylsiletan-1-yl)oxy-1,3-dimethylsiletane
CID 71387894
2-chloro-2,4-dimethyloxasilolane
CID 15389995
1,1,4-trimethylsilolane-2-thiol
CID 176891485
(4R,5S)-1,1,3,3,4,5-hexamethyl-1,3-disilolane
CID 91481899
1-chloro-1-methylsilocane
CID 69285859
1,2,2,4-tetramethylazasilolidine
CID 11332536
methyl-(1,1,4-trimethylsilolan-2-yl)diazene
CID 67145067
(1S,2S)-1-chloro-1,2-dimethylsilinane
CID 91704031
ethane;methylcyclopropane
CID 158329065
3-chloro-2,2,3,6-tetramethyloxadisilinane
CID 175582172
3-chloro-1,1-dimethylsilolane
CID 122714183

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,3-dimethylsiletane?
The IUPAC name of 1-chloro-1,3-dimethylsiletane (CID 564198) is 1-chloro-1,3-dimethylsiletane.
What is the SMILES notation for 1-chloro-1,3-dimethylsiletane?
The canonical SMILES for 1-chloro-1,3-dimethylsiletane is CC1C[Si](C)(Cl)C1.
What is the InChIKey of 1-chloro-1,3-dimethylsiletane?
The InChIKey is KIERXZSOGKYHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClSi/c1-5-3-7(2,6)4-5/h5H,3-4H2,1-2H3.
What are the key properties of 1-chloro-1,3-dimethylsiletane?
1-chloro-1,3-dimethylsiletane has a molecular weight of 134.68 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,3-dimethylsiletane is sourced from PubChem (CID 564198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).