ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane

C22H35NOSi — CID 167654242

IUPACethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane
SMILESCC.CC(C)C.CC(C)N1c2ccccc2[Si](C)(O)c2ccccc21
InChIInChI=1S/C16H19NOSi.C4H10.C2H6/c1-12(2)17-13-8-4-6-10-15(13)19(3,18)16-11-7-5-9-14(16)17;1-4(2)3;1-2/h4-12,18H,1-3H3;4H,1-3H3;1-2H3
InChIKeyRAFHLODUUHMOER-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.92
Rot. Bonds1

About ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane

ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane (PubChem CID 167654242) has the molecular formula C22H35NOSi and a molecular weight of 357.61 g/mol. Its IUPAC name is ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane.

Molecular Properties

Compound Nameethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane
PubChem CID167654242
Molecular FormulaC22H35NOSi
Molecular Weight357.61 g/mol
Exact Mass357.25
IUPAC Nameethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane
SMILESCC.CC(C)C.CC(C)N1c2ccccc2[Si](C)(O)c2ccccc21
InChIInChI=1S/C16H19NOSi.C4H10.C2H6/c1-12(2)17-13-8-4-6-10-15(13)19(3,18)16-11-7-5-9-14(16)17;1-4(2)3;1-2/h4-12,18H,1-3H3;4H,1-3H3;1-2H3
InChIKeyRAFHLODUUHMOER-UHFFFAOYSA-N
XLogP4.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline
CID 153310513
9,9-diphenyl-10-propan-2-ylacridine
CID 134577995
1-propan-2-yl-2-propan-2-ylidenequinoline
CID 177085613
1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 58860770
(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid
CID 8548710
7,7,8,8-tetramethyl-7,8-disilabicyclo[4.2.0]octa-1,3,5-triene
CID 14028747
2-methylidene-3-propan-2-yl-1,3-benzothiazole
CID 90295857
(3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid
CID 98125729
5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 174062573
1-methyl-5-propan-2-yl-1,3,5-benzotriazepine-2,4-dione
CID 141365224
7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
CID 58780327
1,3-di(propan-2-yl)benzimidazol-2-imine
CID 139205352

Frequently Asked Questions

What is the IUPAC name of ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane?
The IUPAC name of ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane (CID 167654242) is ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane.
What is the SMILES notation for ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane?
The canonical SMILES for ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane is CC.CC(C)C.CC(C)N1c2ccccc2[Si](C)(O)c2ccccc21.
What is the InChIKey of ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane?
The InChIKey is RAFHLODUUHMOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOSi.C4H10.C2H6/c1-12(2)17-13-8-4-6-10-15(13)19(3,18)16-11-7-5-9-14(16)17;1-4(2)3;1-2/h4-12,18H,1-3H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane?
ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane has a molecular weight of 357.61 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-hydroxy-10-methyl-5-propan-2-ylbenzo[b][1,4]benzazasiline;2-methylpropane is sourced from PubChem (CID 167654242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).