(E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol

C14H25NO2 — CID 142283533

IUPAC(E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol
SMILESC=C/C(CO)=C(\C=C)CC(O)(CC)CCNC
InChIInChI=1S/C14H25NO2/c1-5-12(13(6-2)11-16)10-14(17,7-3)8-9-15-4/h5-6,15-17H,1-2,7-11H2,3-4H3/b13-12-
InChIKeyRHOTYECYAHUMRD-SEYXRHQNSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds9

About (E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol

(E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol (PubChem CID 142283533) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol.

Molecular Properties

Compound Name(E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol
PubChem CID142283533
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol
SMILESC=C/C(CO)=C(\C=C)CC(O)(CC)CCNC
InChIInChI=1S/C14H25NO2/c1-5-12(13(6-2)11-16)10-14(17,7-3)8-9-15-4/h5-6,15-17H,1-2,7-11H2,3-4H3/b13-12-
InChIKeyRHOTYECYAHUMRD-SEYXRHQNSA-N
XLogP1.79
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol?
The IUPAC name of (E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol (CID 142283533) is (E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol.
What is the SMILES notation for (E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol?
The canonical SMILES for (E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol is C=C/C(CO)=C(\C=C)CC(O)(CC)CCNC.
What is the InChIKey of (E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol?
The InChIKey is RHOTYECYAHUMRD-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-12(13(6-2)11-16)10-14(17,7-3)8-9-15-4/h5-6,15-17H,1-2,7-11H2,3-4H3/b13-12-.
What are the key properties of (E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol?
(E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol has a molecular weight of 239.36 g/mol, XLogP of 1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol is sourced from PubChem (CID 142283533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).