(2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol

C18H37NO5 — CID 118336415

IUPAC(2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol
SMILESCCCCOC[C@@H](O)[C@@H](OCCCC)[C@H](/C=N/OC)OCCCC
InChIInChI=1S/C18H37NO5/c1-5-8-11-22-15-16(20)18(24-13-10-7-3)17(14-19-21-4)23-12-9-6-2/h14,16-18,20H,5-13,15H2,1-4H3/b19-14+/t16-,17+,18-/m1/s1
InChIKeyGJLLCQAPZKZRGC-QUXAZTCASA-N
MW347.50 g/mol
LogP3.17
Rot. Bonds17

About (2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol

(2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol (PubChem CID 118336415) has the molecular formula C18H37NO5 and a molecular weight of 347.50 g/mol. Its IUPAC name is (2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol
PubChem CID118336415
Molecular FormulaC18H37NO5
Molecular Weight347.50 g/mol
Exact Mass347.27
IUPAC Name(2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol
SMILESCCCCOC[C@@H](O)[C@@H](OCCCC)[C@H](/C=N/OC)OCCCC
InChIInChI=1S/C18H37NO5/c1-5-8-11-22-15-16(20)18(24-13-10-7-3)17(14-19-21-4)23-12-9-6-2/h14,16-18,20H,5-13,15H2,1-4H3/b19-14+/t16-,17+,18-/m1/s1
InChIKeyGJLLCQAPZKZRGC-QUXAZTCASA-N
XLogP3.17
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4S,5E)-5-methoxyimino-1,3,4-tripropoxypentan-2-yl] methanesulfonate
CID 118336424
(2R,3R,4R,5E)-5-methoxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 118108863
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol
CID 91218180
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol
CID 88546913
(2S,3R)-2,4-di(nonoxy)butane-1,3-diol
CID 175531574
(2S)-1-butoxypropan-2-ol
CID 54289557
4,5,6-tripentoxyhexane-1,2,3-triol
CID 88729253
1-[2-(2-hydroperoxyethoxy)propoxy]butane
CID 87604055
(2R)-1-butoxybutan-2-ol
CID 27255938
1-pentoxyoctane-2,3-diol
CID 88758443

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol?
The IUPAC name of (2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol (CID 118336415) is (2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol.
What is the SMILES notation for (2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol?
The canonical SMILES for (2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol is CCCCOC[C@@H](O)[C@@H](OCCCC)[C@H](/C=N/OC)OCCCC.
What is the InChIKey of (2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol?
The InChIKey is GJLLCQAPZKZRGC-QUXAZTCASA-N. The full InChI is InChI=1S/C18H37NO5/c1-5-8-11-22-15-16(20)18(24-13-10-7-3)17(14-19-21-4)23-12-9-6-2/h14,16-18,20H,5-13,15H2,1-4H3/b19-14+/t16-,17+,18-/m1/s1.
What are the key properties of (2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol?
(2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol has a molecular weight of 347.50 g/mol, XLogP of 3.17, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5E)-1,3,4-tributoxy-5-methoxyiminopentan-2-ol is sourced from PubChem (CID 118336415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).