(2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol

C11H20O2 — CID 156581220

IUPAC(2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol
SMILESCCC/C(=C\C=C\C[C@@H](C)O)CO
InChIInChI=1S/C11H20O2/c1-3-6-11(9-12)8-5-4-7-10(2)13/h4-5,8,10,12-13H,3,6-7,9H2,1-2H3/b5-4+,11-8+/t10-/m1/s1
InChIKeyOEBABHXHOWUJNZ-FMRBXYKSSA-N
MW184.28 g/mol
LogP2.03
Rot. Bonds6

About (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol

(2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol (PubChem CID 156581220) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol.

Molecular Properties

Compound Name(2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol
PubChem CID156581220
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol
SMILESCCC/C(=C\C=C\C[C@@H](C)O)CO
InChIInChI=1S/C11H20O2/c1-3-6-11(9-12)8-5-4-7-10(2)13/h4-5,8,10,12-13H,3,6-7,9H2,1-2H3/b5-4+,11-8+/t10-/m1/s1
InChIKeyOEBABHXHOWUJNZ-FMRBXYKSSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol?
The IUPAC name of (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol (CID 156581220) is (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol.
What is the SMILES notation for (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol?
The canonical SMILES for (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol is CCC/C(=C\C=C\C[C@@H](C)O)CO.
What is the InChIKey of (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol?
The InChIKey is OEBABHXHOWUJNZ-FMRBXYKSSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-6-11(9-12)8-5-4-7-10(2)13/h4-5,8,10,12-13H,3,6-7,9H2,1-2H3/b5-4+,11-8+/t10-/m1/s1.
What are the key properties of (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol?
(2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol has a molecular weight of 184.28 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7R)-2-propylocta-2,4-diene-1,7-diol is sourced from PubChem (CID 156581220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).