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

C30H42O5Si — CID 10553755

IUPAC[(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate
SMILESCC[Si](CC)(CC)O[C@@H]1/C=C\CC[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H42O5Si/c1-5-36(6-2,7-3)35-28-21-15-14-20-27(34-24(4)31)29(32-22-25-16-10-8-11-17-25)30(28)33-23-26-18-12-9-13-19-26/h8-13,15-19,21,27-30H,5-7,14,20,22-23H2,1-4H3/b21-15-/t27-,28-,29+,30+/m1/s1
InChIKeyNZKXHXVIKSUUSD-SAGFGKKISA-N
MW510.75 g/mol
LogP6.83
Rot. Bonds12

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

[(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate (PubChem CID 10553755) has the molecular formula C30H42O5Si and a molecular weight of 510.75 g/mol. Its IUPAC name is [(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate
PubChem CID10553755
Molecular FormulaC30H42O5Si
Molecular Weight510.75 g/mol
Exact Mass510.28
IUPAC Name[(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate
SMILESCC[Si](CC)(CC)O[C@@H]1/C=C\CC[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H42O5Si/c1-5-36(6-2,7-3)35-28-21-15-14-20-27(34-24(4)31)29(32-22-25-16-10-8-11-17-25)30(28)33-23-26-18-12-9-13-19-26/h8-13,15-19,21,27-30H,5-7,14,20,22-23H2,1-4H3/b21-15-/t27-,28-,29+,30+/m1/s1
InChIKeyNZKXHXVIKSUUSD-SAGFGKKISA-N
XLogP6.83
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.75
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate with MolForge

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Related Compounds

[(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate
CID 10844304
[(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
triethyl-[(2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl)oxy]silane
CID 59913106
[(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
(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol
CID 11321665
[(2S,3S,5R,6R)-2,6-diacetyloxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexyl] acetate
CID 10031871

Frequently Asked Questions

What is the IUPAC name of [(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate?
The IUPAC name of [(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate (CID 10553755) is [(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate.
What is the SMILES notation for [(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate?
The canonical SMILES for [(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate is CC[Si](CC)(CC)O[C@@H]1/C=C\CC[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate?
The InChIKey is NZKXHXVIKSUUSD-SAGFGKKISA-N. The full InChI is InChI=1S/C30H42O5Si/c1-5-36(6-2,7-3)35-28-21-15-14-20-27(34-24(4)31)29(32-22-25-16-10-8-11-17-25)30(28)33-23-26-18-12-9-13-19-26/h8-13,15-19,21,27-30H,5-7,14,20,22-23H2,1-4H3/b21-15-/t27-,28-,29+,30+/m1/s1.
What are the key properties of [(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate?
[(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate has a molecular weight of 510.75 g/mol, XLogP of 6.83, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4Z,6R,7R,8S)-7,8-bis(phenylmethoxy)-6-triethylsilyloxycyclooct-4-en-1-yl] acetate is sourced from PubChem (CID 10553755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).