[[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene

C41H54O3 — CID 11039245

IUPAC[[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene
SMILESCCCCC/C=C\C/C=C\C/C=C\CC[C@@H](CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OCOC
InChIInChI=1S/C41H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-33-40(43-36-42-2)34-25-26-35-44-41(37-27-18-15-19-28-37,38-29-20-16-21-30-38)39-31-22-17-23-32-39/h7-8,10-11,13-23,27-32,40H,3-6,9,12,24-26,33-36H2,1-2H3/b8-7-,11-10-,14-13-/t40-/m0/s1
InChIKeyPAGJHHRJRMBBMB-CQAXTQFZSA-N
MW594.88 g/mol
LogP10.96
Rot. Bonds23

About [[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene

[[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene (PubChem CID 11039245) has the molecular formula C41H54O3 and a molecular weight of 594.88 g/mol. Its IUPAC name is [[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene.

Molecular Properties

Compound Name[[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene
PubChem CID11039245
Molecular FormulaC41H54O3
Molecular Weight594.88 g/mol
Exact Mass594.41
IUPAC Name[[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene
SMILESCCCCC/C=C\C/C=C\C/C=C\CC[C@@H](CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OCOC
InChIInChI=1S/C41H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-33-40(43-36-42-2)34-25-26-35-44-41(37-27-18-15-19-28-37,38-29-20-16-21-30-38)39-31-22-17-23-32-39/h7-8,10-11,13-23,27-32,40H,3-6,9,12,24-26,33-36H2,1-2H3/b8-7-,11-10-,14-13-/t40-/m0/s1
InChIKeyPAGJHHRJRMBBMB-CQAXTQFZSA-N
XLogP10.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.88
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene with MolForge

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Related Compounds

(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol
CID 11070122
[3,4-bis[(Z)-octadec-9-enoxy]butoxy-diphenylmethyl]benzene
CID 100961937
N,N-dimethyl-2-octadeca-9,12-dienoxy-3-trityloxypropan-1-amine
CID 76749824
1-[2,3-bis[(9Z,12Z)-octadeca-9,12-dienoxy]propoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 68663211
(5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid
CID 11100651
(E)-1-[bis(4-methoxyphenyl)-phenylmethoxy]icos-11-en-3-ol
CID 68745223
[[(2R)-3-hexadecoxy-2-hex-3-enoxypropoxy]-diphenylmethyl]benzene
CID 67327525
bis[(Z)-octadec-9-enoxy]-phenylmethanol
CID 87219212
(3R,6E,10E,14E)-1-iodo-3-(methoxymethoxy)heptacosa-6,10,14-triene
CID 11060759
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
(E)-8-phenylmethoxyhexadec-2-en-1-ol
CID 68638312
2,3-bis(octadeca-9,12-dienoxy)propylsulfanylmethylbenzene
CID 123936559

Frequently Asked Questions

What is the IUPAC name of [[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene?
The IUPAC name of [[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene (CID 11039245) is [[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene.
What is the SMILES notation for [[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene?
The canonical SMILES for [[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene is CCCCC/C=C\C/C=C\C/C=C\CC[C@@H](CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OCOC.
What is the InChIKey of [[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene?
The InChIKey is PAGJHHRJRMBBMB-CQAXTQFZSA-N. The full InChI is InChI=1S/C41H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-33-40(43-36-42-2)34-25-26-35-44-41(37-27-18-15-19-28-37,38-29-20-16-21-30-38)39-31-22-17-23-32-39/h7-8,10-11,13-23,27-32,40H,3-6,9,12,24-26,33-36H2,1-2H3/b8-7-,11-10-,14-13-/t40-/m0/s1.
What are the key properties of [[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene?
[[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene has a molecular weight of 594.88 g/mol, XLogP of 10.96, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene is sourced from PubChem (CID 11039245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).