4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine

C30H46Cl2N2O2Si2 — CID 21131748

IUPAC4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
SMILESCc1cc(Cl)cc(C)c1/N=C(CCCO[Si](C)(C)C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cc(Cl)cc1C
InChIInChI=1S/C30H46Cl2N2O2Si2/c1-21-17-25(31)18-22(2)29(21)33-27(13-11-15-35-37(5,6)7)28(14-12-16-36-38(8,9)10)34-30-23(3)19-26(32)20-24(30)4/h17-20H,11-16H2,1-10H3/b33-27+,34-28+
InChIKeyJMFDMZHBECWLAS-SWMYPXFDSA-N
MW593.79 g/mol
LogP10.34
Rot. Bonds13

About 4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine

4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine (PubChem CID 21131748) has the molecular formula C30H46Cl2N2O2Si2 and a molecular weight of 593.79 g/mol. Its IUPAC name is 4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine.

Molecular Properties

Compound Name4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
PubChem CID21131748
Molecular FormulaC30H46Cl2N2O2Si2
Molecular Weight593.79 g/mol
Exact Mass592.25
IUPAC Name4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
SMILESCc1cc(Cl)cc(C)c1/N=C(CCCO[Si](C)(C)C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cc(Cl)cc1C
InChIInChI=1S/C30H46Cl2N2O2Si2/c1-21-17-25(31)18-22(2)29(21)33-27(13-11-15-35-37(5,6)7)28(14-12-16-36-38(8,9)10)34-30-23(3)19-26(32)20-24(30)4/h17-20H,11-16H2,1-10H3/b33-27+,34-28+
InChIKeyJMFDMZHBECWLAS-SWMYPXFDSA-N
XLogP10.34
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.79
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
The IUPAC name of 4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine (CID 21131748) is 4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine.
What is the SMILES notation for 4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
The canonical SMILES for 4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine is Cc1cc(Cl)cc(C)c1/N=C(CCCO[Si](C)(C)C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cc(Cl)cc1C.
What is the InChIKey of 4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
The InChIKey is JMFDMZHBECWLAS-SWMYPXFDSA-N. The full InChI is InChI=1S/C30H46Cl2N2O2Si2/c1-21-17-25(31)18-22(2)29(21)33-27(13-11-15-35-37(5,6)7)28(14-12-16-36-38(8,9)10)34-30-23(3)19-26(32)20-24(30)4/h17-20H,11-16H2,1-10H3/b33-27+,34-28+.
What are the key properties of 4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine?
4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine has a molecular weight of 593.79 g/mol, XLogP of 10.34, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine is sourced from PubChem (CID 21131748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).