(5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol

C27H31NO5 — CID 14309454

IUPAC(5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol
SMILESCO/N=C/C(OCc1ccccc1)C(OCc1ccccc1)C(CO)OCc1ccccc1
InChIInChI=1S/C27H31NO5/c1-30-28-17-25(31-19-22-11-5-2-6-12-22)27(33-21-24-15-9-4-10-16-24)26(18-29)32-20-23-13-7-3-8-14-23/h2-17,25-27,29H,18-21H2,1H3/b28-17+
InChIKeyZWNQBBLKNRBMHD-OGLMXYFKSA-N
MW449.55 g/mol
LogP4.37
Rot. Bonds14

About (5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol

(5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol (PubChem CID 14309454) has the molecular formula C27H31NO5 and a molecular weight of 449.55 g/mol. Its IUPAC name is (5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol.

Molecular Properties

Compound Name(5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol
PubChem CID14309454
Molecular FormulaC27H31NO5
Molecular Weight449.55 g/mol
Exact Mass449.22
IUPAC Name(5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol
SMILESCO/N=C/C(OCc1ccccc1)C(OCc1ccccc1)C(CO)OCc1ccccc1
InChIInChI=1S/C27H31NO5/c1-30-28-17-25(31-19-22-11-5-2-6-12-22)27(33-21-24-15-9-4-10-16-24)26(18-29)32-20-23-13-7-3-8-14-23/h2-17,25-27,29H,18-21H2,1H3/b28-17+
InChIKeyZWNQBBLKNRBMHD-OGLMXYFKSA-N
XLogP4.37
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S,6R)-3-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol
CID 16758487
(2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol
CID 11014688
(2r,3r,4r)-3,4-Bis(benzyloxy)-2-(benzyloxymethyl)-3,4-dihydro-2h-pyrrole 1-oxide
CID 11350584
(2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol
CID 135001270
(2R,3S)-1,3,4-tris(phenylmethoxy)butan-2-ol
CID 11014689
(2s,3s,4s)-3,4-Bis(benzyloxy)-2-(benzyloxymethyl)-3,4-dihydro-2h-pyrrole 1-oxide
CID 46188976
(NE)-N-[2-[(2S)-1-trityloxybut-3-en-2-yl]oxyethylidene]hydroxylamine
CID 57827498
(2r,3s,4s)-3,4-Bis(benzyloxy)-2-(benzyloxymethyl)-3,4-dihydro-2h-pyrrole 1-oxide
CID 90180939
[(5E)-5-methoxyimino-1,3,4-tris(phenylmethoxy)pentan-2-yl] methanesulfonate
CID 118108759
(2S,3R,4S)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyrrol-1-ium
CID 135014117
(2R,3S,4R)-1-oxido-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyrrol-1-ium
CID 139258429
(Z,2R,3R)-N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]-2,4-dimethyl-3-phenylmethoxypentan-1-imine
CID 6518340

Frequently Asked Questions

What is the IUPAC name of (5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol?
The IUPAC name of (5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol (CID 14309454) is (5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol.
What is the SMILES notation for (5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol?
The canonical SMILES for (5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol is CO/N=C/C(OCc1ccccc1)C(OCc1ccccc1)C(CO)OCc1ccccc1.
What is the InChIKey of (5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol?
The InChIKey is ZWNQBBLKNRBMHD-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H31NO5/c1-30-28-17-25(31-19-22-11-5-2-6-12-22)27(33-21-24-15-9-4-10-16-24)26(18-29)32-20-23-13-7-3-8-14-23/h2-17,25-27,29H,18-21H2,1H3/b28-17+.
What are the key properties of (5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol?
(5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol has a molecular weight of 449.55 g/mol, XLogP of 4.37, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-methoxyimino-2,3,4-tris(phenylmethoxy)pentan-1-ol is sourced from PubChem (CID 14309454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).