2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine

C43H65O3P — CID 71046445

IUPAC2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C)c1Op1oc2c(c3cc(C(C)(C)C)cc(C(C)(C)C)c3o1)C=C(C(C)(C)C)CC2C(C)(C)C
InChIInChI=1S/C43H65O3P/c1-26-20-27(38(2,3)4)23-32(41(11,12)13)35(26)44-47-45-36-30(21-28(39(5,6)7)24-33(36)42(14,15)16)31-22-29(40(8,9)10)25-34(37(31)46-47)43(17,18)19/h20-24,34H,25H2,1-19H3
InChIKeyMYCGDQGQJLYKSL-UHFFFAOYSA-N
MW660.96 g/mol
LogP14.44
Rot. Bonds2

About 2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine

2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 71046445) has the molecular formula C43H65O3P and a molecular weight of 660.96 g/mol. Its IUPAC name is 2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID71046445
Molecular FormulaC43H65O3P
Molecular Weight660.96 g/mol
Exact Mass660.47
IUPAC Name2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C)c1Op1oc2c(c3cc(C(C)(C)C)cc(C(C)(C)C)c3o1)C=C(C(C)(C)C)CC2C(C)(C)C
InChIInChI=1S/C43H65O3P/c1-26-20-27(38(2,3)4)23-32(41(11,12)13)35(26)44-47-45-36-30(21-28(39(5,6)7)24-33(36)42(14,15)16)31-22-29(40(8,9)10)25-34(37(31)46-47)43(17,18)19/h20-24,34H,25H2,1-19H3
InChIKeyMYCGDQGQJLYKSL-UHFFFAOYSA-N
XLogP14.44
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.96
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine (CID 71046445) is 2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine is Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1Op1oc2c(c3cc(C(C)(C)C)cc(C(C)(C)C)c3o1)C=C(C(C)(C)C)CC2C(C)(C)C.
What is the InChIKey of 2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is MYCGDQGQJLYKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H65O3P/c1-26-20-27(38(2,3)4)23-32(41(11,12)13)35(26)44-47-45-36-30(21-28(39(5,6)7)24-33(36)42(14,15)16)31-22-29(40(8,9)10)25-34(37(31)46-47)43(17,18)19/h20-24,34H,25H2,1-19H3.
What are the key properties of 2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine?
2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 660.96 g/mol, XLogP of 14.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 71046445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).