(1R,3S)-1-chloro-1,3-dimethylsilinane

C7H15ClSi — CID 91719393

IUPAC(1R,3S)-1-chloro-1,3-dimethylsilinane
SMILESC[C@H]1CCC[Si@@](C)(Cl)C1
InChIInChI=1S/C7H15ClSi/c1-7-4-3-5-9(2,8)6-7/h7H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyOWLSQBYYIRIULL-IONNQARKSA-N
MW162.74 g/mol
LogP3.23
Rot. Bonds

About (1R,3S)-1-chloro-1,3-dimethylsilinane

(1R,3S)-1-chloro-1,3-dimethylsilinane (PubChem CID 91719393) has the molecular formula C7H15ClSi and a molecular weight of 162.74 g/mol. Its IUPAC name is (1R,3S)-1-chloro-1,3-dimethylsilinane.

Molecular Properties

Compound Name(1R,3S)-1-chloro-1,3-dimethylsilinane
PubChem CID91719393
Molecular FormulaC7H15ClSi
Molecular Weight162.74 g/mol
Exact Mass162.06
IUPAC Name(1R,3S)-1-chloro-1,3-dimethylsilinane
SMILESC[C@H]1CCC[Si@@](C)(Cl)C1
InChIInChI=1S/C7H15ClSi/c1-7-4-3-5-9(2,8)6-7/h7H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyOWLSQBYYIRIULL-IONNQARKSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.74
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1-chloro-1,3-dimethylsilinane?
The IUPAC name of (1R,3S)-1-chloro-1,3-dimethylsilinane (CID 91719393) is (1R,3S)-1-chloro-1,3-dimethylsilinane.
What is the SMILES notation for (1R,3S)-1-chloro-1,3-dimethylsilinane?
The canonical SMILES for (1R,3S)-1-chloro-1,3-dimethylsilinane is C[C@H]1CCC[Si@@](C)(Cl)C1.
What is the InChIKey of (1R,3S)-1-chloro-1,3-dimethylsilinane?
The InChIKey is OWLSQBYYIRIULL-IONNQARKSA-N. The full InChI is InChI=1S/C7H15ClSi/c1-7-4-3-5-9(2,8)6-7/h7H,3-6H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of (1R,3S)-1-chloro-1,3-dimethylsilinane?
(1R,3S)-1-chloro-1,3-dimethylsilinane has a molecular weight of 162.74 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1-chloro-1,3-dimethylsilinane is sourced from PubChem (CID 91719393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).