N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine

C30H41NOSi — CID 175854756

IUPACN-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine
SMILESCC(C)[Si](C#Cc1ccccc1C(ON=C1CCCCC1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C30H41NOSi/c1-23(2)33(24(3)4,25(5)6)22-21-26-15-13-14-20-29(26)30(27-16-9-7-10-17-27)32-31-28-18-11-8-12-19-28/h7,9-10,13-17,20,23-25,30H,8,11-12,18-19H2,1-6H3
InChIKeyRJORFIJIXCOLQU-UHFFFAOYSA-N
MW459.75 g/mol
LogP8.68
Rot. Bonds7

About N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine

N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine (PubChem CID 175854756) has the molecular formula C30H41NOSi and a molecular weight of 459.75 g/mol. Its IUPAC name is N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine.

Molecular Properties

Compound NameN-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine
PubChem CID175854756
Molecular FormulaC30H41NOSi
Molecular Weight459.75 g/mol
Exact Mass459.30
IUPAC NameN-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine
SMILESCC(C)[Si](C#Cc1ccccc1C(ON=C1CCCCC1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C30H41NOSi/c1-23(2)33(24(3)4,25(5)6)22-21-26-15-13-14-20-29(26)30(27-16-9-7-10-17-27)32-31-28-18-11-8-12-19-28/h7,9-10,13-17,20,23-25,30H,8,11-12,18-19H2,1-6H3
InChIKeyRJORFIJIXCOLQU-UHFFFAOYSA-N
XLogP8.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.75
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine with MolForge

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Related Compounds

5-(2-Methylphenyl)-3-phenyl-4,5-dihydroisoxazole
CID 368757
(5R)-5-(2-benzyl-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 59570243
(5R)-5-[2-fluoro-6-(2-phenylethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole
CID 59570258
(2E)-2-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxyimino]cyclohexan-1-one
CID 156786667
N-[1-(4-fluorophenyl)-5-tri(propan-2-yl)silylpent-4-yn-2-yl]oxycyclohexanimine
CID 175715333
N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine
CID 175854679
N-[(2-methylphenyl)methoxy]-1,3-diphenylpropan-2-imine
CID 101507394
(4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine
CID 134855348
(E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine
CID 135059524
(E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine
CID 154721264
tert-butyl-dimethyl-[(E)-1-phenyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enoxy]silane
CID 166448785
(5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 59570220

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine?
The IUPAC name of N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine (CID 175854756) is N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine.
What is the SMILES notation for N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine?
The canonical SMILES for N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine is CC(C)[Si](C#Cc1ccccc1C(ON=C1CCCCC1)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine?
The InChIKey is RJORFIJIXCOLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41NOSi/c1-23(2)33(24(3)4,25(5)6)22-21-26-15-13-14-20-29(26)30(27-16-9-7-10-17-27)32-31-28-18-11-8-12-19-28/h7,9-10,13-17,20,23-25,30H,8,11-12,18-19H2,1-6H3.
What are the key properties of N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine?
N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine has a molecular weight of 459.75 g/mol, XLogP of 8.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine is sourced from PubChem (CID 175854756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).