2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine

C62H90O7P2 — CID 101435797

IUPAC2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESC[C@H]1O[C@H](C)[C@H](Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)[C@H]1Op1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1
InChIInChI=1S/C62H90O7P2/c1-35-49(64-70-66-51-41(27-37(55(3,4)5)31-45(51)59(15,16)17)42-28-38(56(6,7)8)32-46(52(42)67-70)60(18,19)20)50(36(2)63-35)65-71-68-53-43(29-39(57(9,10)11)33-47(53)61(21,22)23)44-30-40(58(12,13)14)34-48(54(44)69-71)62(24,25)26/h27-36,49-50H,1-26H3/t35-,36-,49+,50+/m1/s1
InChIKeyVCIYZAKJISFWJS-NGYPDSNLSA-N
MW1009.34 g/mol
LogP19.38
Rot. Bonds4

About 2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine

2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 101435797) has the molecular formula C62H90O7P2 and a molecular weight of 1009.34 g/mol. Its IUPAC name is 2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID101435797
Molecular FormulaC62H90O7P2
Molecular Weight1009.34 g/mol
Exact Mass1008.62
IUPAC Name2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESC[C@H]1O[C@H](C)[C@H](Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)[C@H]1Op1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1
InChIInChI=1S/C62H90O7P2/c1-35-49(64-70-66-51-41(27-37(55(3,4)5)31-45(51)59(15,16)17)42-28-38(56(6,7)8)32-46(52(42)67-70)60(18,19)20)50(36(2)63-35)65-71-68-53-43(29-39(57(9,10)11)33-47(53)61(21,22)23)44-30-40(58(12,13)14)34-48(54(44)69-71)62(24,25)26/h27-36,49-50H,1-26H3/t35-,36-,49+,50+/m1/s1
InChIKeyVCIYZAKJISFWJS-NGYPDSNLSA-N
XLogP19.38
TPSA80.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.34
LogP ≤ 519.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Launch Full Analysis

Related Compounds

2,4,8,10-tetratert-butyl-6-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 67781945
2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 100921762
6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepine
CID 11977380
1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 159117358
ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 159197768
2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[[(4R,5S)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 171748744
(1S)-N,N-dimethyl-1-phenyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 132605643
2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 11366860
2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphosphinan-2-yloxy)phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 159770605
2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol
CID 139721800
2,4,8,10-tetratert-butyl-6-(2,4-ditert-butyl-6-methylphenoxy)-8,9-dihydrobenzo[d][1,3,2]benzodioxaphosphepine
CID 71046445
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

Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine (CID 101435797) is 2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine is C[C@H]1O[C@H](C)[C@H](Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)[C@H]1Op1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1.
What is the InChIKey of 2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is VCIYZAKJISFWJS-NGYPDSNLSA-N. The full InChI is InChI=1S/C62H90O7P2/c1-35-49(64-70-66-51-41(27-37(55(3,4)5)31-45(51)59(15,16)17)42-28-38(56(6,7)8)32-46(52(42)67-70)60(18,19)20)50(36(2)63-35)65-71-68-53-43(29-39(57(9,10)11)33-47(53)61(21,22)23)44-30-40(58(12,13)14)34-48(54(44)69-71)62(24,25)26/h27-36,49-50H,1-26H3/t35-,36-,49+,50+/m1/s1.
What are the key properties of 2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine?
2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 1009.34 g/mol, XLogP of 19.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 101435797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).