(E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol

C11H23NO4 — CID 59083597

IUPAC(E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol
SMILESC/C=C/[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)N(C)CC
InChIInChI=1S/C11H23NO4/c1-4-6-8(12(3)5-2)10(15)11(16)9(14)7-13/h4,6,8-11,13-16H,5,7H2,1-3H3/b6-4+/t8-,9+,10-,11+/m0/s1
InChIKeyKEURFUKGRBHCHY-ULXDUHAISA-N
MW233.31 g/mol
LogP-1.04
Rot. Bonds7

About (E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol

(E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol (PubChem CID 59083597) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is (E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol
PubChem CID59083597
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name(E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol
SMILESC/C=C/[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)N(C)CC
InChIInChI=1S/C11H23NO4/c1-4-6-8(12(3)5-2)10(15)11(16)9(14)7-13/h4,6,8-11,13-16H,5,7H2,1-3H3/b6-4+/t8-,9+,10-,11+/m0/s1
InChIKeyKEURFUKGRBHCHY-ULXDUHAISA-N
XLogP-1.04
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol?
The IUPAC name of (E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol (CID 59083597) is (E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol.
What is the SMILES notation for (E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol?
The canonical SMILES for (E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol is C/C=C/[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)N(C)CC.
What is the InChIKey of (E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol?
The InChIKey is KEURFUKGRBHCHY-ULXDUHAISA-N. The full InChI is InChI=1S/C11H23NO4/c1-4-6-8(12(3)5-2)10(15)11(16)9(14)7-13/h4,6,8-11,13-16H,5,7H2,1-3H3/b6-4+/t8-,9+,10-,11+/m0/s1.
What are the key properties of (E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol?
(E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol has a molecular weight of 233.31 g/mol, XLogP of -1.04, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S,4S,5S)-5-[ethyl(methyl)amino]oct-6-ene-1,2,3,4-tetrol is sourced from PubChem (CID 59083597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).