(E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol

C15H21NO4 — CID 134967032

IUPAC(E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol
SMILESOC/C=C/C[C@H](COCc1ccccc1)OC/C=N/O
InChIInChI=1S/C15H21NO4/c17-10-5-4-8-15(20-11-9-16-18)13-19-12-14-6-2-1-3-7-14/h1-7,9,15,17-18H,8,10-13H2/b5-4+,16-9+/t15-/m1/s1
InChIKeyQPBOTPLRGZINOY-NFLXJQLSSA-N
MW279.34 g/mol
LogP1.99
Rot. Bonds10

About (E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol

(E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol (PubChem CID 134967032) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol.

Molecular Properties

Compound Name(E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol
PubChem CID134967032
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol
SMILESOC/C=C/C[C@H](COCc1ccccc1)OC/C=N/O
InChIInChI=1S/C15H21NO4/c17-10-5-4-8-15(20-11-9-16-18)13-19-12-14-6-2-1-3-7-14/h1-7,9,15,17-18H,8,10-13H2/b5-4+,16-9+/t15-/m1/s1
InChIKeyQPBOTPLRGZINOY-NFLXJQLSSA-N
XLogP1.99
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol
CID 135076282
N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine
CID 144540879
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
CID 144540878
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol
CID 6393557
(E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol
CID 90198541
methyl (5R)-5-(2-nitrosoethoxy)-6-phenylmethoxyhex-2-enoate
CID 123635926
N-benzyl-2-(1-phenylmethoxypent-4-en-2-yloxy)ethanimine oxide
CID 14979664
3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol?
The IUPAC name of (E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol (CID 134967032) is (E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol.
What is the SMILES notation for (E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol?
The canonical SMILES for (E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol is OC/C=C/C[C@H](COCc1ccccc1)OC/C=N/O.
What is the InChIKey of (E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol?
The InChIKey is QPBOTPLRGZINOY-NFLXJQLSSA-N. The full InChI is InChI=1S/C15H21NO4/c17-10-5-4-8-15(20-11-9-16-18)13-19-12-14-6-2-1-3-7-14/h1-7,9,15,17-18H,8,10-13H2/b5-4+,16-9+/t15-/m1/s1.
What are the key properties of (E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol?
(E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol has a molecular weight of 279.34 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol is sourced from PubChem (CID 134967032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).