[(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate

C31H34O5 — CID 10844304

IUPAC[(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CC/C=C\[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C31H34O5/c1-24(32)36-29-20-12-11-19-28(33-21-25-13-5-2-6-14-25)30(34-22-26-15-7-3-8-16-26)31(29)35-23-27-17-9-4-10-18-27/h2-11,13-19,28-31H,12,20-23H2,1H3/b19-11-/t28-,29-,30+,31+/m1/s1
InChIKeyWUXXTZWMADXEKO-HVONDBRPSA-N
MW486.61 g/mol
LogP6.02
Rot. Bonds10

About [(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate

[(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate (PubChem CID 10844304) has the molecular formula C31H34O5 and a molecular weight of 486.61 g/mol. Its IUPAC name is [(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate
PubChem CID10844304
Molecular FormulaC31H34O5
Molecular Weight486.61 g/mol
Exact Mass486.24
IUPAC Name[(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CC/C=C\[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C31H34O5/c1-24(32)36-29-20-12-11-19-28(33-21-25-13-5-2-6-14-25)30(34-22-26-15-7-3-8-16-26)31(29)35-23-27-17-9-4-10-18-27/h2-11,13-19,28-31H,12,20-23H2,1H3/b19-11-/t28-,29-,30+,31+/m1/s1
InChIKeyWUXXTZWMADXEKO-HVONDBRPSA-N
XLogP6.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate
CID 10553755
[(1R,4R,5S,6S)-4,5,6-tris(phenylmethoxy)cyclohex-2-en-1-yl] acetate
CID 11396973
[(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate
CID 134852857
[(1R,2S,3R,4S,5R,6S)-5-acetyloxy-7,8-dimethyl-3,4-bis(phenylmethoxy)-7,8-diazabicyclo[4.2.2]dec-9-en-2-yl] acetate
CID 15527452
[(1S,2R,3R,4S,5S,6R)-2-acetyloxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] 2-hydroxyacetate
CID 10952364
[(2R,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921480
[(1S,2R,3R,4S,5R,6S)-3-hydroxy-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] acetate
CID 10674783
[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921481
(4-phenylmethoxycyclopent-2-en-1-yl) acetate
CID 22754072
[(1S,2R)-2-acetyloxycyclohex-3-en-1-yl] acetate
CID 12696434
(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol
CID 11321665
(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate
CID 23271774

Frequently Asked Questions

What is the IUPAC name of [(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate?
The IUPAC name of [(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate (CID 10844304) is [(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate.
What is the SMILES notation for [(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate?
The canonical SMILES for [(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate is CC(=O)O[C@@H]1CC/C=C\[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate?
The InChIKey is WUXXTZWMADXEKO-HVONDBRPSA-N. The full InChI is InChI=1S/C31H34O5/c1-24(32)36-29-20-12-11-19-28(33-21-25-13-5-2-6-14-25)30(34-22-26-15-7-3-8-16-26)31(29)35-23-27-17-9-4-10-18-27/h2-11,13-19,28-31H,12,20-23H2,1H3/b19-11-/t28-,29-,30+,31+/m1/s1.
What are the key properties of [(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate?
[(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate has a molecular weight of 486.61 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate is sourced from PubChem (CID 10844304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).