(4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane

C24H41NOSi — CID 54109504

IUPAC(4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane
SMILESC[C@@H]1CN([Si](C)(Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)C[C@H](C)O1
InChIInChI=1S/C24H41NOSi/c1-19-16-25(17-20(2)26-19)27(6,23-10-8-7-9-11-23)18-21-12-14-22(15-13-21)24(3,4)5/h12-15,19-20,23H,7-11,16-18H2,1-6H3/t19-,20+,27?
InChIKeyNGBYAWFWBZHTKI-NNJHRLFQSA-N
MW387.68 g/mol
LogP6.08
Rot. Bonds4

About (4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane

(4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane (PubChem CID 54109504) has the molecular formula C24H41NOSi and a molecular weight of 387.68 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane
PubChem CID54109504
Molecular FormulaC24H41NOSi
Molecular Weight387.68 g/mol
Exact Mass387.30
IUPAC Name(4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane
SMILESC[C@@H]1CN([Si](C)(Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)C[C@H](C)O1
InChIInChI=1S/C24H41NOSi/c1-19-16-25(17-20(2)26-19)27(6,23-10-8-7-9-11-23)18-21-12-14-22(15-13-21)24(3,4)5/h12-15,19-20,23H,7-11,16-18H2,1-6H3/t19-,20+,27?
InChIKeyNGBYAWFWBZHTKI-NNJHRLFQSA-N
XLogP6.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.68
LogP ≤ 56.08
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 (4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane?
The IUPAC name of (4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane (CID 54109504) is (4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane.
What is the SMILES notation for (4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane?
The canonical SMILES for (4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane is C[C@@H]1CN([Si](C)(Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)C[C@H](C)O1.
What is the InChIKey of (4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane?
The InChIKey is NGBYAWFWBZHTKI-NNJHRLFQSA-N. The full InChI is InChI=1S/C24H41NOSi/c1-19-16-25(17-20(2)26-19)27(6,23-10-8-7-9-11-23)18-21-12-14-22(15-13-21)24(3,4)5/h12-15,19-20,23H,7-11,16-18H2,1-6H3/t19-,20+,27?.
What are the key properties of (4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane?
(4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane has a molecular weight of 387.68 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane is sourced from PubChem (CID 54109504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).