[(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene

C56H56O6 — CID 10941831

IUPAC[(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene
SMILESC1=C(/C=C/C2=C[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2)C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C56H56O6/c1-7-19-43(20-8-1)37-57-51-33-49(34-52(58-38-44-21-9-2-10-22-44)55(51)61-41-47-27-15-5-16-28-47)31-32-50-35-53(59-39-45-23-11-3-12-24-45)56(62-42-48-29-17-6-18-30-48)54(36-50)60-40-46-25-13-4-14-26-46/h1-33,35,51-56H,34,36-42H2/b32-31+/t51-,52-,53-,54-,55-,56-/m1/s1
InChIKeyFLNHZPZQYABWOF-AZZDSBHASA-N
MW825.06 g/mol
LogP11.72
Rot. Bonds20

About [(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene

[(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene (PubChem CID 10941831) has the molecular formula C56H56O6 and a molecular weight of 825.06 g/mol. Its IUPAC name is [(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene
PubChem CID10941831
Molecular FormulaC56H56O6
Molecular Weight825.06 g/mol
Exact Mass824.41
IUPAC Name[(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene
SMILESC1=C(/C=C/C2=C[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2)C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C56H56O6/c1-7-19-43(20-8-1)37-57-51-33-49(34-52(58-38-44-21-9-2-10-22-44)55(51)61-41-47-27-15-5-16-28-47)31-32-50-35-53(59-39-45-23-11-3-12-24-45)56(62-42-48-29-17-6-18-30-48)54(36-50)60-40-46-25-13-4-14-26-46/h1-33,35,51-56H,34,36-42H2/b32-31+/t51-,52-,53-,54-,55-,56-/m1/s1
InChIKeyFLNHZPZQYABWOF-AZZDSBHASA-N
XLogP11.72
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.06
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene with MolForge

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Related Compounds

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(3S,5R)-3,4,5-tris(phenylmethoxy)piperidine-1-carbaldehyde
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CID 23245876
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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene?
The IUPAC name of [(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene (CID 10941831) is [(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene.
What is the SMILES notation for [(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene?
The canonical SMILES for [(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene is C1=C(/C=C/C2=C[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2)C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene?
The InChIKey is FLNHZPZQYABWOF-AZZDSBHASA-N. The full InChI is InChI=1S/C56H56O6/c1-7-19-43(20-8-1)37-57-51-33-49(34-52(58-38-44-21-9-2-10-22-44)55(51)61-41-47-27-15-5-16-28-47)31-32-50-35-53(59-39-45-23-11-3-12-24-45)56(62-42-48-29-17-6-18-30-48)54(36-50)60-40-46-25-13-4-14-26-46/h1-33,35,51-56H,34,36-42H2/b32-31+/t51-,52-,53-,54-,55-,56-/m1/s1.
What are the key properties of [(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene?
[(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene has a molecular weight of 825.06 g/mol, XLogP of 11.72, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene is sourced from PubChem (CID 10941831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).