(2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol

C11H18O2 — CID 156581219

IUPAC(2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol
SMILESC/C=C/C(=C\C=C\C[C@@H](C)O)CO
InChIInChI=1S/C11H18O2/c1-3-6-11(9-12)8-5-4-7-10(2)13/h3-6,8,10,12-13H,7,9H2,1-2H3/b5-4+,6-3+,11-8+/t10-/m1/s1
InChIKeyQAWQRAAASGOXIR-SDLLCZJLSA-N
MW182.26 g/mol
LogP1.81
Rot. Bonds5

About (2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol

(2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol (PubChem CID 156581219) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol.

Molecular Properties

Compound Name(2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol
PubChem CID156581219
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol
SMILESC/C=C/C(=C\C=C\C[C@@H](C)O)CO
InChIInChI=1S/C11H18O2/c1-3-6-11(9-12)8-5-4-7-10(2)13/h3-6,8,10,12-13H,7,9H2,1-2H3/b5-4+,6-3+,11-8+/t10-/m1/s1
InChIKeyQAWQRAAASGOXIR-SDLLCZJLSA-N
XLogP1.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.81
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 (2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol?
The IUPAC name of (2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol (CID 156581219) is (2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol.
What is the SMILES notation for (2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol?
The canonical SMILES for (2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol is C/C=C/C(=C\C=C\C[C@@H](C)O)CO.
What is the InChIKey of (2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol?
The InChIKey is QAWQRAAASGOXIR-SDLLCZJLSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-6-11(9-12)8-5-4-7-10(2)13/h3-6,8,10,12-13H,7,9H2,1-2H3/b5-4+,6-3+,11-8+/t10-/m1/s1.
What are the key properties of (2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol?
(2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol has a molecular weight of 182.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol is sourced from PubChem (CID 156581219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).