2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite

C131H172O18P6 — CID 167641823

IUPAC2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite
SMILESCCC(C)c1ccccc1OP(OCCOP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC.CCC(C)c1ccccc1OP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC.CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C.c1ccc(OP(OCCCOP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C42H56O6P2.C32H51O3P.C30H39O3P.C27H26O6P2/c1-9-31(5)35-21-13-17-25-39(35)45-49(46-40-26-18-14-22-36(40)32(6)10-2)43-29-30-44-50(47-41-27-19-15-23-37(41)33(7)11-3)48-42-28-20-16-24-38(42)34(8)12-4;1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15;1-7-22(4)25-16-10-13-19-28(25)31-34(32-29-20-14-11-17-26(29)23(5)8-2)33-30-21-15-12-18-27(30)24(6)9-3;1-5-14-24(15-6-1)30-34(31-25-16-7-2-8-17-25)28-22-13-23-29-35(32-26-18-9-3-10-19-26)33-27-20-11-4-12-21-27/h13-28,31-34H,9-12,29-30H2,1-8H3;17-20H,16H2,1-15H3;10-24H,7-9H2,1-6H3;1-12,14-21H,13,22-23H2
InChIKeyPGOXAGMFWYCOSF-UHFFFAOYSA-N
MW2220.64 g/mol
LogP42.23
Rot. Bonds53

About 2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite

2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite (PubChem CID 167641823) has the molecular formula C131H172O18P6 and a molecular weight of 2220.64 g/mol. Its IUPAC name is 2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite.

Molecular Properties

Compound Name2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite
PubChem CID167641823
Molecular FormulaC131H172O18P6
Molecular Weight2220.64 g/mol
Exact Mass2219.10
IUPAC Name2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite
SMILESCCC(C)c1ccccc1OP(OCCOP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC.CCC(C)c1ccccc1OP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC.CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C.c1ccc(OP(OCCCOP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C42H56O6P2.C32H51O3P.C30H39O3P.C27H26O6P2/c1-9-31(5)35-21-13-17-25-39(35)45-49(46-40-26-18-14-22-36(40)32(6)10-2)43-29-30-44-50(47-41-27-19-15-23-37(41)33(7)11-3)48-42-28-20-16-24-38(42)34(8)12-4;1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15;1-7-22(4)25-16-10-13-19-28(25)31-34(32-29-20-14-11-17-26(29)23(5)8-2)33-30-21-15-12-18-27(30)24(6)9-3;1-5-14-24(15-6-1)30-34(31-25-16-7-2-8-17-25)28-22-13-23-29-35(32-26-18-9-3-10-19-26)33-27-20-11-4-12-21-27/h13-28,31-34H,9-12,29-30H2,1-8H3;17-20H,16H2,1-15H3;10-24H,7-9H2,1-6H3;1-12,14-21H,13,22-23H2
InChIKeyPGOXAGMFWYCOSF-UHFFFAOYSA-N
XLogP42.23
TPSA166.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds53
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002220.64
LogP ≤ 542.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-bis(2-butan-2-ylphenoxy)phosphanyloxyethoxy]ethyl bis(2-butan-2-ylphenyl) phosphite
CID 59498746
tris(2-butan-2-ylphenyl) phosphite
CID 18519322
[4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite
CID 101327372
[4-[4,4-bis[5-tert-butyl-2-methyl-4-[(3-nonylphenoxy)-pentadecoxyphosphanyl]oxyphenyl]butan-2-yl]-2-tert-butyl-5-methylphenyl] (3-nonylphenyl) pentadecyl phosphite
CID 101327356
[4-[4,4-bis[5-tert-butyl-4-[dodecoxy-(3-octylphenoxy)phosphanyl]oxy-2-methylphenyl]butan-2-yl]-2-tert-butyl-5-methylphenyl] dodecyl (3-octylphenyl) phosphite
CID 101327314
[4-[4,4-bis[5-tert-butyl-2-methyl-4-[(4-octylphenoxy)-undecoxyphosphanyl]oxyphenyl]butan-2-yl]-2-tert-butyl-5-methylphenyl] (4-octylphenyl) undecyl phosphite
CID 101327312
butyl bis(2-tert-butylphenyl) phosphite
CID 141233548
[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite
CID 140827255
(2,6-ditert-butylphenyl) diphenyl phosphite
CID 86014872
(4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 19087227
[4-(benzenesulfonyl)phenyl] bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 15218832
diphenyl (2,4,6-trimethylphenyl) phosphite
CID 23454654

Frequently Asked Questions

What is the IUPAC name of 2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite?
The IUPAC name of 2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite (CID 167641823) is 2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite.
What is the SMILES notation for 2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite?
The canonical SMILES for 2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite is CCC(C)c1ccccc1OP(OCCOP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC.CCC(C)c1ccccc1OP(Oc1ccccc1C(C)CC)Oc1ccccc1C(C)CC.CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C.c1ccc(OP(OCCCOP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of 2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite?
The InChIKey is PGOXAGMFWYCOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H56O6P2.C32H51O3P.C30H39O3P.C27H26O6P2/c1-9-31(5)35-21-13-17-25-39(35)45-49(46-40-26-18-14-22-36(40)32(6)10-2)43-29-30-44-50(47-41-27-19-15-23-37(41)33(7)11-3)48-42-28-20-16-24-38(42)34(8)12-4;1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15;1-7-22(4)25-16-10-13-19-28(25)31-34(32-29-20-14-11-17-26(29)23(5)8-2)33-30-21-15-12-18-27(30)24(6)9-3;1-5-14-24(15-6-1)30-34(31-25-16-7-2-8-17-25)28-22-13-23-29-35(32-26-18-9-3-10-19-26)33-27-20-11-4-12-21-27/h13-28,31-34H,9-12,29-30H2,1-8H3;17-20H,16H2,1-15H3;10-24H,7-9H2,1-6H3;1-12,14-21H,13,22-23H2.
What are the key properties of 2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite?
2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite has a molecular weight of 2220.64 g/mol, XLogP of 42.23, 53 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite is sourced from PubChem (CID 167641823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).