3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine

C15H22O2Si — CID 25228306

IUPAC3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine
SMILESC[Si]1(C2CCCCC2)OCc2ccccc2CO1
InChIInChI=1S/C15H22O2Si/c1-18(15-9-3-2-4-10-15)16-11-13-7-5-6-8-14(13)12-17-18/h5-8,15H,2-4,9-12H2,1H3
InChIKeyIVKVFNSUXBPRIE-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.14
Rot. Bonds1

About 3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine

3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine (PubChem CID 25228306) has the molecular formula C15H22O2Si and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine.

Molecular Properties

Compound Name3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine
PubChem CID25228306
Molecular FormulaC15H22O2Si
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine
SMILESC[Si]1(C2CCCCC2)OCc2ccccc2CO1
InChIInChI=1S/C15H22O2Si/c1-18(15-9-3-2-4-10-15)16-11-13-7-5-6-8-14(13)12-17-18/h5-8,15H,2-4,9-12H2,1H3
InChIKeyIVKVFNSUXBPRIE-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine?
The IUPAC name of 3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine (CID 25228306) is 3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine.
What is the SMILES notation for 3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine?
The canonical SMILES for 3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine is C[Si]1(C2CCCCC2)OCc2ccccc2CO1.
What is the InChIKey of 3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine?
The InChIKey is IVKVFNSUXBPRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-18(15-9-3-2-4-10-15)16-11-13-7-5-6-8-14(13)12-17-18/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of 3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine?
3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine has a molecular weight of 262.42 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine is sourced from PubChem (CID 25228306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).