(6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline

C13H24OSi — CID 101106397

IUPAC(6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline
SMILESCC1=CC[Si](C)(C)O[C@H]1C1CCCCC1
InChIInChI=1S/C13H24OSi/c1-11-9-10-15(2,3)14-13(11)12-7-5-4-6-8-12/h9,12-13H,4-8,10H2,1-3H3/t13-/m1/s1
InChIKeyMLTKEIXKUKUPSS-CYBMUJFWSA-N
MW224.42 g/mol
LogP4.12
Rot. Bonds1

About (6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline

(6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline (PubChem CID 101106397) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline.

Molecular Properties

Compound Name(6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline
PubChem CID101106397
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline
SMILESCC1=CC[Si](C)(C)O[C@H]1C1CCCCC1
InChIInChI=1S/C13H24OSi/c1-11-9-10-15(2,3)14-13(11)12-7-5-4-6-8-12/h9,12-13H,4-8,10H2,1-3H3/t13-/m1/s1
InChIKeyMLTKEIXKUKUPSS-CYBMUJFWSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline?
The IUPAC name of (6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline (CID 101106397) is (6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline.
What is the SMILES notation for (6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline?
The canonical SMILES for (6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline is CC1=CC[Si](C)(C)O[C@H]1C1CCCCC1.
What is the InChIKey of (6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline?
The InChIKey is MLTKEIXKUKUPSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24OSi/c1-11-9-10-15(2,3)14-13(11)12-7-5-4-6-8-12/h9,12-13H,4-8,10H2,1-3H3/t13-/m1/s1.
What are the key properties of (6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline?
(6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline has a molecular weight of 224.42 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline is sourced from PubChem (CID 101106397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).