3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane

C90H160O14P6 — CID 157419195

IUPAC3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane
SMILESCC(C)(C)c1ccc(OP)c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)C3=O)c(C(C)(C)C)c1.CCCCCCCCCCCCCCCCCCOP1OCC(C)(C(=O)P(OC)OCCCCCCCCCCCCCCCCCC)CO1.COP
InChIInChI=1S/C42H84O6P2.C33H48O6P2.C14H23OP.CH5OP/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-49(44-4)41(43)42(3)39-47-50(48-40-42)46-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-29(2,3)22-13-15-26(24(17-22)31(7,8)9)38-40-28(34)33(19-35-40)20-36-41(37-21-33)39-27-16-14-23(30(4,5)6)18-25(27)32(10,11)12;1-13(2,3)10-7-8-12(15-16)11(9-10)14(4,5)6;1-2-3/h5-40H2,1-4H3;13-18H,19-21H2,1-12H3;7-9H,16H2,1-6H3;3H2,1H3
InChIKeyBPFASGQAPRCWSR-UHFFFAOYSA-N
MW1652.10 g/mol
LogP29.64
Rot. Bonds44

About 3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane

3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane (PubChem CID 157419195) has the molecular formula C90H160O14P6 and a molecular weight of 1652.10 g/mol. Its IUPAC name is 3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane.

Molecular Properties

Compound Name3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane
PubChem CID157419195
Molecular FormulaC90H160O14P6
Molecular Weight1652.10 g/mol
Exact Mass1651.02
IUPAC Name3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane
SMILESCC(C)(C)c1ccc(OP)c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)C3=O)c(C(C)(C)C)c1.CCCCCCCCCCCCCCCCCCOP1OCC(C)(C(=O)P(OC)OCCCCCCCCCCCCCCCCCC)CO1.COP
InChIInChI=1S/C42H84O6P2.C33H48O6P2.C14H23OP.CH5OP/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-49(44-4)41(43)42(3)39-47-50(48-40-42)46-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-29(2,3)22-13-15-26(24(17-22)31(7,8)9)38-40-28(34)33(19-35-40)20-36-41(37-21-33)39-27-16-14-23(30(4,5)6)18-25(27)32(10,11)12;1-13(2,3)10-7-8-12(15-16)11(9-10)14(4,5)6;1-2-3/h5-40H2,1-4H3;13-18H,19-21H2,1-12H3;7-9H,16H2,1-6H3;3H2,1H3
InChIKeyBPFASGQAPRCWSR-UHFFFAOYSA-N
XLogP29.64
TPSA144.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds44
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001652.10
LogP ≤ 529.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane with MolForge

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Related Compounds

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CID 141165582
5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159136689
1-[bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]methoxy]-2-tert-butyl-4-(2-methylpropyl)benzene;9-[2-tert-butyl-4-(2-methylpropyl)phenoxy]-3-(2,4-ditert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane
CID 158804027
(2,4-ditert-butyl-6-methylphenoxy)-ethoxyphosphane;3,9-dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
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dodecyl 2-[1-[2-(2,4-ditert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17086462
bis(2,4-ditert-butylphenyl) octyl phosphate
CID 159721323
octadecyl 3-[3,5-ditert-butyl-4-[(2,4-ditert-butylphenoxy)-fluorophosphanyl]oxyphenyl]propanoate
CID 54542364
3,9-bis(4-tert-butyl-2-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 14094156
methyl 3-[3,5-ditert-butyl-4-[(5-butyl-5-ethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]propanoate
CID 58856269
1-benzyl-2,8-bis(2,4-ditert-butylphenoxy)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
CID 19742179
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CID 18358505

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane?
The IUPAC name of 3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane (CID 157419195) is 3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane.
What is the SMILES notation for 3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane?
The canonical SMILES for 3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane is CC(C)(C)c1ccc(OP)c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)C3=O)c(C(C)(C)C)c1.CCCCCCCCCCCCCCCCCCOP1OCC(C)(C(=O)P(OC)OCCCCCCCCCCCCCCCCCC)CO1.COP.
What is the InChIKey of 3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane?
The InChIKey is BPFASGQAPRCWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H84O6P2.C33H48O6P2.C14H23OP.CH5OP/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-49(44-4)41(43)42(3)39-47-50(48-40-42)46-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-29(2,3)22-13-15-26(24(17-22)31(7,8)9)38-40-28(34)33(19-35-40)20-36-41(37-21-33)39-27-16-14-23(30(4,5)6)18-25(27)32(10,11)12;1-13(2,3)10-7-8-12(15-16)11(9-10)14(4,5)6;1-2-3/h5-40H2,1-4H3;13-18H,19-21H2,1-12H3;7-9H,16H2,1-6H3;3H2,1H3.
What are the key properties of 3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane?
3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane has a molecular weight of 1652.10 g/mol, XLogP of 29.64, 44 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(2,4-ditert-butylphenoxy)-2,7,9-trioxa-3,8-diphosphaspiro[4.5]decan-4-one;(2,4-ditert-butylphenoxy)phosphane;[methoxy(octadecoxy)phosphanyl]-(5-methyl-2-octadecoxy-1,3,2-dioxaphosphinan-5-yl)methanone;methoxyphosphane is sourced from PubChem (CID 157419195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).