ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene

C61H90O8P2 — CID 142850208

IUPACethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene
SMILESC/C=C/CC.C=C/C(C)=C\C=C(/COP(Oc1ccccc1C(=O)c1ccc(OC)cc1OP(OC)Oc1cc(C)ccc1C(C)C)Oc1cc(C)ccc1C(C)C)C(C)C.C=CCC(C)C.CC.CC
InChIInChI=1S/C46H56O8P2.C6H12.C5H10.2C2H6/c1-13-33(8)18-21-36(30(2)3)29-50-56(54-44-27-35(10)20-24-39(44)32(6)7)51-42-17-15-14-16-40(42)46(47)41-25-22-37(48-11)28-45(41)53-55(49-12)52-43-26-34(9)19-23-38(43)31(4)5;1-4-5-6(2)3;1-3-5-4-2;2*1-2/h13-28,30-32H,1,29H2,2-12H3;4,6H,1,5H2,2-3H3;3,5H,4H2,1-2H3;2*1-2H3/b33-18-,36-21+;;5-3+;;
InChIKeyJTTSFRGODXNJEN-ZFVRWHSZSA-N
MW1013.33 g/mol
LogP19.78
Rot. Bonds23

About ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene

ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene (PubChem CID 142850208) has the molecular formula C61H90O8P2 and a molecular weight of 1013.33 g/mol. Its IUPAC name is ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene.

Molecular Properties

Compound Nameethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene
PubChem CID142850208
Molecular FormulaC61H90O8P2
Molecular Weight1013.33 g/mol
Exact Mass1012.61
IUPAC Nameethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene
SMILESC/C=C/CC.C=C/C(C)=C\C=C(/COP(Oc1ccccc1C(=O)c1ccc(OC)cc1OP(OC)Oc1cc(C)ccc1C(C)C)Oc1cc(C)ccc1C(C)C)C(C)C.C=CCC(C)C.CC.CC
InChIInChI=1S/C46H56O8P2.C6H12.C5H10.2C2H6/c1-13-33(8)18-21-36(30(2)3)29-50-56(54-44-27-35(10)20-24-39(44)32(6)7)51-42-17-15-14-16-40(42)46(47)41-25-22-37(48-11)28-45(41)53-55(49-12)52-43-26-34(9)19-23-38(43)31(4)5;1-4-5-6(2)3;1-3-5-4-2;2*1-2/h13-28,30-32H,1,29H2,2-12H3;4,6H,1,5H2,2-3H3;3,5H,4H2,1-2H3;2*1-2H3/b33-18-,36-21+;;5-3+;;
InChIKeyJTTSFRGODXNJEN-ZFVRWHSZSA-N
XLogP19.78
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.33
LogP ≤ 519.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene with MolForge

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Launch Full Analysis

Related Compounds

1-butan-2-yl-4-methylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;[5-methoxy-2-[4-methoxy-2-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] methyl (5-methyl-2-propan-2-ylphenyl) phosphite
CID 142850087
[2-[2-bis(2-tert-butylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] (2-tert-butylphenyl) (2-propan-2-ylphenyl) phosphite
CID 58640381
[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
CID 58931668
[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite
CID 58931610
1-(2-ethyl-4-methylphenyl)prop-2-en-1-one;1-(2-propan-2-ylphenyl)prop-2-en-1-one
CID 176716175
[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite
CID 142850621
[2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite
CID 89185095
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839402
(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8758790
2-(3-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001950
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722

Frequently Asked Questions

What is the IUPAC name of ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene?
The IUPAC name of ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene (CID 142850208) is ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene.
What is the SMILES notation for ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene?
The canonical SMILES for ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene is C/C=C/CC.C=C/C(C)=C\C=C(/COP(Oc1ccccc1C(=O)c1ccc(OC)cc1OP(OC)Oc1cc(C)ccc1C(C)C)Oc1cc(C)ccc1C(C)C)C(C)C.C=CCC(C)C.CC.CC.
What is the InChIKey of ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene?
The InChIKey is JTTSFRGODXNJEN-ZFVRWHSZSA-N. The full InChI is InChI=1S/C46H56O8P2.C6H12.C5H10.2C2H6/c1-13-33(8)18-21-36(30(2)3)29-50-56(54-44-27-35(10)20-24-39(44)32(6)7)51-42-17-15-14-16-40(42)46(47)41-25-22-37(48-11)28-45(41)53-55(49-12)52-43-26-34(9)19-23-38(43)31(4)5;1-4-5-6(2)3;1-3-5-4-2;2*1-2/h13-28,30-32H,1,29H2,2-12H3;4,6H,1,5H2,2-3H3;3,5H,4H2,1-2H3;2*1-2H3/b33-18-,36-21+;;5-3+;;.
What are the key properties of ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene?
ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene has a molecular weight of 1013.33 g/mol, XLogP of 19.78, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[4-methoxy-2-[methoxy-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] [(2Z,4Z)-5-methyl-2-propan-2-ylhepta-2,4,6-trienyl] (5-methyl-2-propan-2-ylphenyl) phosphite;4-methylpent-1-ene;(E)-pent-2-ene is sourced from PubChem (CID 142850208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).