(E)-2-(dimethylamino)hex-4-ene-1,3-diol

C8H17NO2 — CID 59593560

IUPAC(E)-2-(dimethylamino)hex-4-ene-1,3-diol
SMILESC/C=C/C(O)C(CO)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-8(11)7(6-10)9(2)3/h4-5,7-8,10-11H,6H2,1-3H3/b5-4+
InChIKeyRTCFHBCNTGZGSB-SNAWJCMRSA-N
MW159.23 g/mol
LogP-0.15
Rot. Bonds4

About (E)-2-(dimethylamino)hex-4-ene-1,3-diol

(E)-2-(dimethylamino)hex-4-ene-1,3-diol (PubChem CID 59593560) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (E)-2-(dimethylamino)hex-4-ene-1,3-diol.

Molecular Properties

Compound Name(E)-2-(dimethylamino)hex-4-ene-1,3-diol
PubChem CID59593560
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(E)-2-(dimethylamino)hex-4-ene-1,3-diol
SMILESC/C=C/C(O)C(CO)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-8(11)7(6-10)9(2)3/h4-5,7-8,10-11H,6H2,1-3H3/b5-4+
InChIKeyRTCFHBCNTGZGSB-SNAWJCMRSA-N
XLogP-0.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze (E)-2-(dimethylamino)hex-4-ene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-(dimethylamino)hex-4-ene-1,3-diol?
The IUPAC name of (E)-2-(dimethylamino)hex-4-ene-1,3-diol (CID 59593560) is (E)-2-(dimethylamino)hex-4-ene-1,3-diol.
What is the SMILES notation for (E)-2-(dimethylamino)hex-4-ene-1,3-diol?
The canonical SMILES for (E)-2-(dimethylamino)hex-4-ene-1,3-diol is C/C=C/C(O)C(CO)N(C)C.
What is the InChIKey of (E)-2-(dimethylamino)hex-4-ene-1,3-diol?
The InChIKey is RTCFHBCNTGZGSB-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-8(11)7(6-10)9(2)3/h4-5,7-8,10-11H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-2-(dimethylamino)hex-4-ene-1,3-diol?
(E)-2-(dimethylamino)hex-4-ene-1,3-diol has a molecular weight of 159.23 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(dimethylamino)hex-4-ene-1,3-diol is sourced from PubChem (CID 59593560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).