4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

C56H72O6P2 — CID 21019051

IUPAC4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C(C)(C)C)c2op(OCc3cccc(COp4oc5c(C(C)(C)C)cc(C)c(C)c5c5c(C)c(C)cc(C(C)(C)C)c5o4)c3)oc3c(C(C)(C)C)cc(C)c(C)c3c2c1C
InChIInChI=1S/C56H72O6P2/c1-31-24-41(53(9,10)11)49-45(35(31)5)46-36(6)32(2)25-42(54(12,13)14)50(46)60-63(59-49)57-29-39-22-21-23-40(28-39)30-58-64-61-51-43(55(15,16)17)26-33(3)37(7)47(51)48-38(8)34(4)27-44(52(48)62-64)56(18,19)20/h21-28H,29-30H2,1-20H3
InChIKeyDVIPKKPZWGVSLX-UHFFFAOYSA-N
MW903.13 g/mol
LogP17.81
Rot. Bonds6

About 4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 21019051) has the molecular formula C56H72O6P2 and a molecular weight of 903.13 g/mol. Its IUPAC name is 4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID21019051
Molecular FormulaC56H72O6P2
Molecular Weight903.13 g/mol
Exact Mass902.48
IUPAC Name4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C(C)(C)C)c2op(OCc3cccc(COp4oc5c(C(C)(C)C)cc(C)c(C)c5c5c(C)c(C)cc(C(C)(C)C)c5o4)c3)oc3c(C(C)(C)C)cc(C)c(C)c3c2c1C
InChIInChI=1S/C56H72O6P2/c1-31-24-41(53(9,10)11)49-45(35(31)5)46-36(6)32(2)25-42(54(12,13)14)50(46)60-63(59-49)57-29-39-22-21-23-40(28-39)30-58-64-61-51-43(55(15,16)17)26-33(3)37(7)47(51)48-38(8)34(4)27-44(52(48)62-64)56(18,19)20/h21-28H,29-30H2,1-20H3
InChIKeyDVIPKKPZWGVSLX-UHFFFAOYSA-N
XLogP17.81
TPSA71.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.13
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Related Compounds

2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl-bis(3,5-dimethylphenyl)phosphane
CID 11204613
[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-diethylphosphane
CID 122389535
bis(acetonitrile);4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 154728144
N,N'-bis(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-N,N'-diphenylbutane-1,4-diamine
CID 21019042
(9S)-6,13-ditert-butyl-9-[2-[2-[4-tert-butyl-8-(2,2-dimethylpropyl)-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxyphenyl]phenoxy]-3,4,15,16-tetramethyl-8-oxa-9-phosphatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
CID 129111712
(1S)-N,N-dimethyl-1-phenyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 132605643
ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 159197768
1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine
CID 20693420
4,8-ditert-butyl-6-[4-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 21130889
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl 3-(3-tert-butyl-4-methoxy-5-methylphenyl)propanoate
CID 139758292
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741

Frequently Asked Questions

What is the IUPAC name of 4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (CID 21019051) is 4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is Cc1cc(C(C)(C)C)c2op(OCc3cccc(COp4oc5c(C(C)(C)C)cc(C)c(C)c5c5c(C)c(C)cc(C(C)(C)C)c5o4)c3)oc3c(C(C)(C)C)cc(C)c(C)c3c2c1C.
What is the InChIKey of 4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is DVIPKKPZWGVSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H72O6P2/c1-31-24-41(53(9,10)11)49-45(35(31)5)46-36(6)32(2)25-42(54(12,13)14)50(46)60-63(59-49)57-29-39-22-21-23-40(28-39)30-58-64-61-51-43(55(15,16)17)26-33(3)37(7)47(51)48-38(8)34(4)27-44(52(48)62-64)56(18,19)20/h21-28H,29-30H2,1-20H3.
What are the key properties of 4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 903.13 g/mol, XLogP of 17.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-ditert-butyl-6-[[3-[(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxymethyl]phenyl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 21019051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).