[(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate

C22H26O5 — CID 101392493

IUPAC[(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate
SMILESC=CC(O)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC(C)=O
InChIInChI=1S/C22H26O5/c1-3-20(24)22(26-15-19-12-8-5-9-13-19)21(27-17(2)23)16-25-14-18-10-6-4-7-11-18/h3-13,20-22,24H,1,14-16H2,2H3/t20?,21-,22-/m1/s1
InChIKeyCPVPHURQSSCQIE-HRUVVLKGSA-N
MW370.44 g/mol
LogP3.27
Rot. Bonds11

About [(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate

[(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate (PubChem CID 101392493) has the molecular formula C22H26O5 and a molecular weight of 370.44 g/mol. Its IUPAC name is [(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate
PubChem CID101392493
Molecular FormulaC22H26O5
Molecular Weight370.44 g/mol
Exact Mass370.18
IUPAC Name[(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate
SMILESC=CC(O)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC(C)=O
InChIInChI=1S/C22H26O5/c1-3-20(24)22(26-15-19-12-8-5-9-13-19)21(27-17(2)23)16-25-14-18-10-6-4-7-11-18/h3-13,20-22,24H,1,14-16H2,2H3/t20?,21-,22-/m1/s1
InChIKeyCPVPHURQSSCQIE-HRUVVLKGSA-N
XLogP3.27
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate
CID 24857975
[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate
CID 101029598
[(2R,3S,4S)-2,3,4-triacetyloxy-5-phenylmethoxypentyl] acetate
CID 101133703
[(5S,6S,7S,8R)-6,7,8-tris(phenylmethoxy)deca-1,9-dien-5-yl] acetate
CID 15498900
[(3S,4R)-4-methyl-1-phenylmethoxyhex-5-en-3-yl] acetate
CID 15942144
[(E)-5-acetyloxy-2,4,6-tris(phenylmethoxy)hex-2-enyl] acetate
CID 14312025
[(2R,3S,4S)-4-acetyloxy-3,5-dimethyl-1-phenylmethoxyhex-5-en-2-yl] acetate
CID 102437861
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-6-phenyl-1-phenylmethoxyhexan-2-yl] acetate
CID 154947729
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
[(2R,3R,4S)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl] methanesulfonate
CID 102509147
[(2S,3S)-3,4-diacetyloxy-2-phenylmethoxybutyl] acetate
CID 10806920

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate?
The IUPAC name of [(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate (CID 101392493) is [(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate.
What is the SMILES notation for [(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate?
The canonical SMILES for [(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate is C=CC(O)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC(C)=O.
What is the InChIKey of [(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate?
The InChIKey is CPVPHURQSSCQIE-HRUVVLKGSA-N. The full InChI is InChI=1S/C22H26O5/c1-3-20(24)22(26-15-19-12-8-5-9-13-19)21(27-17(2)23)16-25-14-18-10-6-4-7-11-18/h3-13,20-22,24H,1,14-16H2,2H3/t20?,21-,22-/m1/s1.
What are the key properties of [(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate?
[(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate has a molecular weight of 370.44 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate is sourced from PubChem (CID 101392493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).