[(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate

C43H59O11P — CID 11262844

IUPAC[(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate
SMILESC=C1C[C@@H](C/C=C/C(C/C(C)=C\C=O)OCc2ccc(OC)cc2)O[C@@H](/C=C(\C)C[C@H](COCc2ccc(OC)cc2)OC(=O)CP(=O)(OCC)OCC)C1
InChIInChI=1S/C43H59O11P/c1-8-51-55(46,52-9-2)31-43(45)54-42(30-49-28-35-13-17-37(47-6)18-14-35)27-34(5)26-41-25-33(4)24-40(53-41)12-10-11-39(23-32(3)21-22-44)50-29-36-15-19-38(48-7)20-16-36/h10-11,13-22,26,39-42H,4,8-9,12,23-25,27-31H2,1-3,5-7H3/b11-10+,32-21-,34-26+/t39?,40-,41-,42-/m1/s1
InChIKeyUTFPGEGUYMOLOG-POLUXJJNSA-N
MW782.91 g/mol
LogP8.91
Rot. Bonds25

About [(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate

[(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate (PubChem CID 11262844) has the molecular formula C43H59O11P and a molecular weight of 782.91 g/mol. Its IUPAC name is [(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate.

Molecular Properties

Compound Name[(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate
PubChem CID11262844
Molecular FormulaC43H59O11P
Molecular Weight782.91 g/mol
Exact Mass782.38
IUPAC Name[(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate
SMILESC=C1C[C@@H](C/C=C/C(C/C(C)=C\C=O)OCc2ccc(OC)cc2)O[C@@H](/C=C(\C)C[C@H](COCc2ccc(OC)cc2)OC(=O)CP(=O)(OCC)OCC)C1
InChIInChI=1S/C43H59O11P/c1-8-51-55(46,52-9-2)31-43(45)54-42(30-49-28-35-13-17-37(47-6)18-14-35)27-34(5)26-41-25-33(4)24-40(53-41)12-10-11-39(23-32(3)21-22-44)50-29-36-15-19-38(48-7)20-16-36/h10-11,13-22,26,39-42H,4,8-9,12,23-25,27-31H2,1-3,5-7H3/b11-10+,32-21-,34-26+/t39?,40-,41-,42-/m1/s1
InChIKeyUTFPGEGUYMOLOG-POLUXJJNSA-N
XLogP8.91
TPSA125.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500782.91
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate with MolForge

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Related Compounds

[(E,2R,3R)-6-[(2R,6R)-6-[(2E,4R,6Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-1-[(3,4-dimethoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxy]-5-methylhex-5-en-3-yl] 2-diethoxyphosphorylacetate
CID 11320583
[(E,2R,3R)-6-[(2R,6R)-6-[(2E,4R,6Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylocta-2,6-dienyl]-4-methylideneoxan-2-yl]-1-[(3,4-dimethoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxy]-5-methylhex-5-en-3-yl] 2-diethoxyphosphorylacetate
CID 101200694
[(2E,4R,5S,6S,8S,9E,11E,13R)-4-methoxy-1-[(4-methoxyphenyl)methoxy]-3,5,9-trimethyl-13-[(2R,4S)-6-oxo-4-(2-oxoethyl)oxan-2-yl]-8-tri(propan-2-yl)silyloxytetradeca-2,9,11-trien-6-yl] 2-diethoxyphosphorylacetate
CID 11309027
(E)-4-[(4-methoxyphenyl)methoxy]-3-methylbut-2-enal
CID 101450016
tert-butyl (E)-4-[(2S,4R,6R)-4-hydroxy-6-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]oxan-2-yl]but-2-enoate
CID 134843264
[(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]pent-4-en-2-yl] (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylnona-2,4,8-trienoate
CID 102175238
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
methyl (Z)-4-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]but-2-enoate
CID 11003283
[(Z,3S,4S)-1-butoxy-7-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-[(4-methoxyphenyl)methoxymethyl]hept-5-en-3-yl] acetate
CID 134990561
tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25022929
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
CID 10657341

Frequently Asked Questions

What is the IUPAC name of [(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate?
The IUPAC name of [(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate (CID 11262844) is [(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate.
What is the SMILES notation for [(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate?
The canonical SMILES for [(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate is C=C1C[C@@H](C/C=C/C(C/C(C)=C\C=O)OCc2ccc(OC)cc2)O[C@@H](/C=C(\C)C[C@H](COCc2ccc(OC)cc2)OC(=O)CP(=O)(OCC)OCC)C1.
What is the InChIKey of [(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate?
The InChIKey is UTFPGEGUYMOLOG-POLUXJJNSA-N. The full InChI is InChI=1S/C43H59O11P/c1-8-51-55(46,52-9-2)31-43(45)54-42(30-49-28-35-13-17-37(47-6)18-14-35)27-34(5)26-41-25-33(4)24-40(53-41)12-10-11-39(23-32(3)21-22-44)50-29-36-15-19-38(48-7)20-16-36/h10-11,13-22,26,39-42H,4,8-9,12,23-25,27-31H2,1-3,5-7H3/b11-10+,32-21-,34-26+/t39?,40-,41-,42-/m1/s1.
What are the key properties of [(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate?
[(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate has a molecular weight of 782.91 g/mol, XLogP of 8.91, 25 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-1-[(4-methoxyphenyl)methoxy]-5-[(2R,6R)-6-[(2E,6Z)-4-[(4-methoxyphenyl)methoxy]-6-methyl-8-oxoocta-2,6-dienyl]-4-methylideneoxan-2-yl]-4-methylpent-4-en-2-yl] 2-diethoxyphosphorylacetate is sourced from PubChem (CID 11262844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).