(E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol

C26H36O4 — CID 101142294

IUPAC(E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol
SMILESOCCc1ccc(C(O)CCC/C=C/CCCC(O)c2ccc(CCO)cc2)cc1
InChIInChI=1S/C26H36O4/c27-19-17-21-9-13-23(14-10-21)25(29)7-5-3-1-2-4-6-8-26(30)24-15-11-22(12-16-24)18-20-28/h1-2,9-16,25-30H,3-8,17-20H2/b2-1+
InChIKeyYZYGSDIADJCZAN-OWOJBTEDSA-N
MW412.57 g/mol
LogP4.42
Rot. Bonds14

About (E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol

(E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol (PubChem CID 101142294) has the molecular formula C26H36O4 and a molecular weight of 412.57 g/mol. Its IUPAC name is (E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol.

Molecular Properties

Compound Name(E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol
PubChem CID101142294
Molecular FormulaC26H36O4
Molecular Weight412.57 g/mol
Exact Mass412.26
IUPAC Name(E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol
SMILESOCCc1ccc(C(O)CCC/C=C/CCCC(O)c2ccc(CCO)cc2)cc1
InChIInChI=1S/C26H36O4/c27-19-17-21-9-13-23(14-10-21)25(29)7-5-3-1-2-4-6-8-26(30)24-15-11-22(12-16-24)18-20-28/h1-2,9-16,25-30H,3-8,17-20H2/b2-1+
InChIKeyYZYGSDIADJCZAN-OWOJBTEDSA-N
XLogP4.42
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol?
The IUPAC name of (E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol (CID 101142294) is (E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol.
What is the SMILES notation for (E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol?
The canonical SMILES for (E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol is OCCc1ccc(C(O)CCC/C=C/CCCC(O)c2ccc(CCO)cc2)cc1.
What is the InChIKey of (E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol?
The InChIKey is YZYGSDIADJCZAN-OWOJBTEDSA-N. The full InChI is InChI=1S/C26H36O4/c27-19-17-21-9-13-23(14-10-21)25(29)7-5-3-1-2-4-6-8-26(30)24-15-11-22(12-16-24)18-20-28/h1-2,9-16,25-30H,3-8,17-20H2/b2-1+.
What are the key properties of (E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol?
(E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol has a molecular weight of 412.57 g/mol, XLogP of 4.42, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,10-bis[4-(2-hydroxyethyl)phenyl]dec-5-ene-1,10-diol is sourced from PubChem (CID 101142294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).