(2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol

C12H26N2O5 — CID 121006907

IUPAC(2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol
SMILESCCCCCCN/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C12H26N2O5/c1-2-3-4-5-6-13-14-7-9(16)11(18)12(19)10(17)8-15/h7,9-13,15-19H,2-6,8H2,1H3/b14-7+/t9-,10+,11+,12-/m0/s1
InChIKeyQUBRRMCAODREHZ-YEAFWYEMSA-N
MW278.35 g/mol
LogP-1.42
Rot. Bonds11

About (2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol

(2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol (PubChem CID 121006907) has the molecular formula C12H26N2O5 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol
PubChem CID121006907
Molecular FormulaC12H26N2O5
Molecular Weight278.35 g/mol
Exact Mass278.18
IUPAC Name(2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol
SMILESCCCCCCN/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C12H26N2O5/c1-2-3-4-5-6-13-14-7-9(16)11(18)12(19)10(17)8-15/h7,9-13,15-19H,2-6,8H2,1H3/b14-7+/t9-,10+,11+,12-/m0/s1
InChIKeyQUBRRMCAODREHZ-YEAFWYEMSA-N
XLogP-1.42
TPSA125.54 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 5-1.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol (CID 121006907) is (2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol is CCCCCCN/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol?
The InChIKey is QUBRRMCAODREHZ-YEAFWYEMSA-N. The full InChI is InChI=1S/C12H26N2O5/c1-2-3-4-5-6-13-14-7-9(16)11(18)12(19)10(17)8-15/h7,9-13,15-19H,2-6,8H2,1H3/b14-7+/t9-,10+,11+,12-/m0/s1.
What are the key properties of (2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol?
(2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol has a molecular weight of 278.35 g/mol, XLogP of -1.42, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 121006907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).