5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine

C32H52N2O2Si2 — CID 21131778

IUPAC5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine
SMILESCc1cccc(C)c1/N=C(CCCCO[Si](C)(C)C)/C(CCCCO[Si](C)(C)C)=N/c1c(C)cccc1C
InChIInChI=1S/C32H52N2O2Si2/c1-25-17-15-18-26(2)31(25)33-29(21-11-13-23-35-37(5,6)7)30(22-12-14-24-36-38(8,9)10)34-32-27(3)19-16-20-28(32)4/h15-20H,11-14,21-24H2,1-10H3/b33-29+,34-30+
InChIKeySJASSWSCRBOYMF-BNRZXNFUSA-N
MW552.95 g/mol
LogP9.81
Rot. Bonds15

About 5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine

5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine (PubChem CID 21131778) has the molecular formula C32H52N2O2Si2 and a molecular weight of 552.95 g/mol. Its IUPAC name is 5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine.

Molecular Properties

Compound Name5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine
PubChem CID21131778
Molecular FormulaC32H52N2O2Si2
Molecular Weight552.95 g/mol
Exact Mass552.36
IUPAC Name5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine
SMILESCc1cccc(C)c1/N=C(CCCCO[Si](C)(C)C)/C(CCCCO[Si](C)(C)C)=N/c1c(C)cccc1C
InChIInChI=1S/C32H52N2O2Si2/c1-25-17-15-18-26(2)31(25)33-29(21-11-13-23-35-37(5,6)7)30(22-12-14-24-36-38(8,9)10)34-32-27(3)19-16-20-28(32)4/h15-20H,11-14,21-24H2,1-10H3/b33-29+,34-30+
InChIKeySJASSWSCRBOYMF-BNRZXNFUSA-N
XLogP9.81
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.95
LogP ≤ 59.81
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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Related Compounds

4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+)
CID 59075453
4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel
CID 24941636
4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel
CID 21131696
2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide
CID 21131773
4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
CID 21131748
4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel
CID 21131730
2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine
CID 21131746
4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine
CID 90744181
6,7-bis[(2,6-dimethylphenyl)imino]octane-1-sulfonate
CID 101119582
N-(2,6-dimethylphenyl)heptanimidoyl chloride
CID 15323894
7-cyclopentyl-2-N,3-N-bis(2,6-dimethylphenyl)heptane-2,3-diimine;tetrachlorotitanium
CID 140632539
N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine?
The IUPAC name of 5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine (CID 21131778) is 5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine.
What is the SMILES notation for 5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine?
The canonical SMILES for 5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine is Cc1cccc(C)c1/N=C(CCCCO[Si](C)(C)C)/C(CCCCO[Si](C)(C)C)=N/c1c(C)cccc1C.
What is the InChIKey of 5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine?
The InChIKey is SJASSWSCRBOYMF-BNRZXNFUSA-N. The full InChI is InChI=1S/C32H52N2O2Si2/c1-25-17-15-18-26(2)31(25)33-29(21-11-13-23-35-37(5,6)7)30(22-12-14-24-36-38(8,9)10)34-32-27(3)19-16-20-28(32)4/h15-20H,11-14,21-24H2,1-10H3/b33-29+,34-30+.
What are the key properties of 5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine?
5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine has a molecular weight of 552.95 g/mol, XLogP of 9.81, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine is sourced from PubChem (CID 21131778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).