6-ethenylideneundecane-5,7-diol

C13H24O2 — CID 88717945

IUPAC6-ethenylideneundecane-5,7-diol
SMILESC=C=C(C(O)CCCC)C(O)CCCC
InChIInChI=1S/C13H24O2/c1-4-7-9-12(14)11(6-3)13(15)10-8-5-2/h12-15H,3-5,7-10H2,1-2H3
InChIKeyADLLVOBOCNZUJJ-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.80
Rot. Bonds8

About 6-ethenylideneundecane-5,7-diol

6-ethenylideneundecane-5,7-diol (PubChem CID 88717945) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 6-ethenylideneundecane-5,7-diol.

Molecular Properties

Compound Name6-ethenylideneundecane-5,7-diol
PubChem CID88717945
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name6-ethenylideneundecane-5,7-diol
SMILESC=C=C(C(O)CCCC)C(O)CCCC
InChIInChI=1S/C13H24O2/c1-4-7-9-12(14)11(6-3)13(15)10-8-5-2/h12-15H,3-5,7-10H2,1-2H3
InChIKeyADLLVOBOCNZUJJ-UHFFFAOYSA-N
XLogP2.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenylideneundecane-5,7-diol?
The IUPAC name of 6-ethenylideneundecane-5,7-diol (CID 88717945) is 6-ethenylideneundecane-5,7-diol.
What is the SMILES notation for 6-ethenylideneundecane-5,7-diol?
The canonical SMILES for 6-ethenylideneundecane-5,7-diol is C=C=C(C(O)CCCC)C(O)CCCC.
What is the InChIKey of 6-ethenylideneundecane-5,7-diol?
The InChIKey is ADLLVOBOCNZUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-7-9-12(14)11(6-3)13(15)10-8-5-2/h12-15H,3-5,7-10H2,1-2H3.
What are the key properties of 6-ethenylideneundecane-5,7-diol?
6-ethenylideneundecane-5,7-diol has a molecular weight of 212.33 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenylideneundecane-5,7-diol is sourced from PubChem (CID 88717945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).