2-prop-1-enylocta-4,6-diene-1,2-diol

C11H18O2 — CID 85166811

IUPAC2-prop-1-enylocta-4,6-diene-1,2-diol
SMILESCC=CC=CCC(O)(C=CC)CO
InChIInChI=1S/C11H18O2/c1-3-5-6-7-9-11(13,10-12)8-4-2/h3-8,12-13H,9-10H2,1-2H3
InChIKeyOXRRGRAFJNBWTL-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.81
Rot. Bonds5

About 2-prop-1-enylocta-4,6-diene-1,2-diol

2-prop-1-enylocta-4,6-diene-1,2-diol (PubChem CID 85166811) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-prop-1-enylocta-4,6-diene-1,2-diol.

Molecular Properties

Compound Name2-prop-1-enylocta-4,6-diene-1,2-diol
PubChem CID85166811
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-prop-1-enylocta-4,6-diene-1,2-diol
SMILESCC=CC=CCC(O)(C=CC)CO
InChIInChI=1S/C11H18O2/c1-3-5-6-7-9-11(13,10-12)8-4-2/h3-8,12-13H,9-10H2,1-2H3
InChIKeyOXRRGRAFJNBWTL-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enylocta-4,6-diene-1,2-diol?
The IUPAC name of 2-prop-1-enylocta-4,6-diene-1,2-diol (CID 85166811) is 2-prop-1-enylocta-4,6-diene-1,2-diol.
What is the SMILES notation for 2-prop-1-enylocta-4,6-diene-1,2-diol?
The canonical SMILES for 2-prop-1-enylocta-4,6-diene-1,2-diol is CC=CC=CCC(O)(C=CC)CO.
What is the InChIKey of 2-prop-1-enylocta-4,6-diene-1,2-diol?
The InChIKey is OXRRGRAFJNBWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-6-7-9-11(13,10-12)8-4-2/h3-8,12-13H,9-10H2,1-2H3.
What are the key properties of 2-prop-1-enylocta-4,6-diene-1,2-diol?
2-prop-1-enylocta-4,6-diene-1,2-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 2-prop-1-enylocta-4,6-diene-1,2-diol is sourced from PubChem (CID 85166811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).