6-(dimethylamino)hex-3-ene-1,5-diol

C8H17NO2 — CID 76605569

IUPAC6-(dimethylamino)hex-3-ene-1,5-diol
SMILESCN(C)CC(O)C=CCCO
InChIInChI=1S/C8H17NO2/c1-9(2)7-8(11)5-3-4-6-10/h3,5,8,10-11H,4,6-7H2,1-2H3
InChIKeyFLXWKNWPJDYEJF-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.15
Rot. Bonds5

About 6-(dimethylamino)hex-3-ene-1,5-diol

6-(dimethylamino)hex-3-ene-1,5-diol (PubChem CID 76605569) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-(dimethylamino)hex-3-ene-1,5-diol.

Molecular Properties

Compound Name6-(dimethylamino)hex-3-ene-1,5-diol
PubChem CID76605569
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name6-(dimethylamino)hex-3-ene-1,5-diol
SMILESCN(C)CC(O)C=CCCO
InChIInChI=1S/C8H17NO2/c1-9(2)7-8(11)5-3-4-6-10/h3,5,8,10-11H,4,6-7H2,1-2H3
InChIKeyFLXWKNWPJDYEJF-UHFFFAOYSA-N
XLogP-0.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-(dimethylamino)hex-3-ene-1,5-diol?
The IUPAC name of 6-(dimethylamino)hex-3-ene-1,5-diol (CID 76605569) is 6-(dimethylamino)hex-3-ene-1,5-diol.
What is the SMILES notation for 6-(dimethylamino)hex-3-ene-1,5-diol?
The canonical SMILES for 6-(dimethylamino)hex-3-ene-1,5-diol is CN(C)CC(O)C=CCCO.
What is the InChIKey of 6-(dimethylamino)hex-3-ene-1,5-diol?
The InChIKey is FLXWKNWPJDYEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9(2)7-8(11)5-3-4-6-10/h3,5,8,10-11H,4,6-7H2,1-2H3.
What are the key properties of 6-(dimethylamino)hex-3-ene-1,5-diol?
6-(dimethylamino)hex-3-ene-1,5-diol has a molecular weight of 159.23 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)hex-3-ene-1,5-diol is sourced from PubChem (CID 76605569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).