(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol

C10H19NO — CID 130427649

IUPAC(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol
SMILESC=C/C(=C\C)C(O)CCN(C)C
InChIInChI=1S/C10H19NO/c1-5-9(6-2)10(12)7-8-11(3)4/h5-6,10,12H,1,7-8H2,2-4H3/b9-6+
InChIKeyDRASRXFZGIAQMU-RMKNXTFCSA-N
MW169.27 g/mol
LogP1.43
Rot. Bonds5

About (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol

(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol (PubChem CID 130427649) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol
PubChem CID130427649
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol
SMILESC=C/C(=C\C)C(O)CCN(C)C
InChIInChI=1S/C10H19NO/c1-5-9(6-2)10(12)7-8-11(3)4/h5-6,10,12H,1,7-8H2,2-4H3/b9-6+
InChIKeyDRASRXFZGIAQMU-RMKNXTFCSA-N
XLogP1.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol?
The IUPAC name of (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol (CID 130427649) is (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol.
What is the SMILES notation for (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol?
The canonical SMILES for (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol is C=C/C(=C\C)C(O)CCN(C)C.
What is the InChIKey of (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol?
The InChIKey is DRASRXFZGIAQMU-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-9(6-2)10(12)7-8-11(3)4/h5-6,10,12H,1,7-8H2,2-4H3/b9-6+.
What are the key properties of (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol?
(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol is sourced from PubChem (CID 130427649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).