undeca-4,6-diene-3,8-diol

C11H20O2 — CID 123513262

IUPACundeca-4,6-diene-3,8-diol
SMILESCCCC(O)C=CC=CC(O)CC
InChIInChI=1S/C11H20O2/c1-3-7-11(13)9-6-5-8-10(12)4-2/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyRFYQJZJRNHUYKG-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.03
Rot. Bonds6

About undeca-4,6-diene-3,8-diol

undeca-4,6-diene-3,8-diol (PubChem CID 123513262) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is undeca-4,6-diene-3,8-diol.

Molecular Properties

Compound Nameundeca-4,6-diene-3,8-diol
PubChem CID123513262
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameundeca-4,6-diene-3,8-diol
SMILESCCCC(O)C=CC=CC(O)CC
InChIInChI=1S/C11H20O2/c1-3-7-11(13)9-6-5-8-10(12)4-2/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyRFYQJZJRNHUYKG-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of undeca-4,6-diene-3,8-diol?
The IUPAC name of undeca-4,6-diene-3,8-diol (CID 123513262) is undeca-4,6-diene-3,8-diol.
What is the SMILES notation for undeca-4,6-diene-3,8-diol?
The canonical SMILES for undeca-4,6-diene-3,8-diol is CCCC(O)C=CC=CC(O)CC.
What is the InChIKey of undeca-4,6-diene-3,8-diol?
The InChIKey is RFYQJZJRNHUYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-11(13)9-6-5-8-10(12)4-2/h5-6,8-13H,3-4,7H2,1-2H3.
What are the key properties of undeca-4,6-diene-3,8-diol?
undeca-4,6-diene-3,8-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 undeca-4,6-diene-3,8-diol is sourced from PubChem (CID 123513262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).