(4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol

C12H23NO — CID 143063252

IUPAC(4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol
SMILESCCN/C(C=C(C)C)=C(/C)CCCO
InChIInChI=1S/C12H23NO/c1-5-13-12(9-10(2)3)11(4)7-6-8-14/h9,13-14H,5-8H2,1-4H3/b12-11-
InChIKeyMYGXAKODGZPSCA-QXMHVHEDSA-N
MW197.32 g/mol
LogP2.61
Rot. Bonds6

About (4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol

(4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol (PubChem CID 143063252) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol
PubChem CID143063252
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol
SMILESCCN/C(C=C(C)C)=C(/C)CCCO
InChIInChI=1S/C12H23NO/c1-5-13-12(9-10(2)3)11(4)7-6-8-14/h9,13-14H,5-8H2,1-4H3/b12-11-
InChIKeyMYGXAKODGZPSCA-QXMHVHEDSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
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 (4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol?
The IUPAC name of (4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol (CID 143063252) is (4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol.
What is the SMILES notation for (4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol?
The canonical SMILES for (4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol is CCN/C(C=C(C)C)=C(/C)CCCO.
What is the InChIKey of (4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol?
The InChIKey is MYGXAKODGZPSCA-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-13-12(9-10(2)3)11(4)7-6-8-14/h9,13-14H,5-8H2,1-4H3/b12-11-.
What are the key properties of (4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol?
(4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-(ethylamino)-4,7-dimethylocta-4,6-dien-1-ol is sourced from PubChem (CID 143063252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).