[(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene

C24H32O6 — CID 122213469

IUPAC[(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene
SMILESC=C[C@@H](OCc1ccccc1)[C@H](OCOC)[C@H](COCc1ccccc1)OCOC
InChIInChI=1S/C24H32O6/c1-4-22(28-16-21-13-9-6-10-14-21)24(30-19-26-3)23(29-18-25-2)17-27-15-20-11-7-5-8-12-20/h4-14,22-24H,1,15-19H2,2-3H3/t22-,23+,24+/m1/s1
InChIKeyKYFQNVJJZVXFKV-SGNDLWITSA-N
MW416.51 g/mol
LogP3.95
Rot. Bonds16

About [(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene

[(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene (PubChem CID 122213469) has the molecular formula C24H32O6 and a molecular weight of 416.51 g/mol. Its IUPAC name is [(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene.

Molecular Properties

Compound Name[(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene
PubChem CID122213469
Molecular FormulaC24H32O6
Molecular Weight416.51 g/mol
Exact Mass416.22
IUPAC Name[(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene
SMILESC=C[C@@H](OCc1ccccc1)[C@H](OCOC)[C@H](COCc1ccccc1)OCOC
InChIInChI=1S/C24H32O6/c1-4-22(28-16-21-13-9-6-10-14-21)24(30-19-26-3)23(29-18-25-2)17-27-15-20-11-7-5-8-12-20/h4-14,22-24H,1,15-19H2,2-3H3/t22-,23+,24+/m1/s1
InChIKeyKYFQNVJJZVXFKV-SGNDLWITSA-N
XLogP3.95
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
(4S)-4,6-bis(methoxymethoxy)-5,7-bis(phenylmethoxy)hept-2-en-1-ol
CID 90855884
[(E,2R,3S)-2-(methoxymethoxy)-3,6-bis(phenylmethoxy)hex-4-enoxy]methylbenzene
CID 135036465
[(2R,3R,4S)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl] methanesulfonate
CID 102509147
(E,4S,5R)-5-(methoxymethoxy)-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 135036464
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
2-[1-[(2R,3S,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]oxyethenyl]naphthalene
CID 10555079
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
CID 140879389
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene?
The IUPAC name of [(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene (CID 122213469) is [(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene.
What is the SMILES notation for [(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene?
The canonical SMILES for [(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene is C=C[C@@H](OCc1ccccc1)[C@H](OCOC)[C@H](COCc1ccccc1)OCOC.
What is the InChIKey of [(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene?
The InChIKey is KYFQNVJJZVXFKV-SGNDLWITSA-N. The full InChI is InChI=1S/C24H32O6/c1-4-22(28-16-21-13-9-6-10-14-21)24(30-19-26-3)23(29-18-25-2)17-27-15-20-11-7-5-8-12-20/h4-14,22-24H,1,15-19H2,2-3H3/t22-,23+,24+/m1/s1.
What are the key properties of [(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene?
[(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene has a molecular weight of 416.51 g/mol, XLogP of 3.95, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene is sourced from PubChem (CID 122213469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).