2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol

C13H28O9 — CID 89194517

IUPAC2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol
SMILESCC(O)C(O)C(O)C(O)C(O)C(C)(O)C(O)C(O)C(C)(C)O
InChIInChI=1S/C13H28O9/c1-5(14)6(15)7(16)8(17)9(18)13(4,22)11(20)10(19)12(2,3)21/h5-11,14-22H,1-4H3
InChIKeyCYJVFFBXOHHJMK-UHFFFAOYSA-N
MW328.36 g/mol
LogP-3.95
Rot. Bonds8

About 2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol

2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol (PubChem CID 89194517) has the molecular formula C13H28O9 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol.

Molecular Properties

Compound Name2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol
PubChem CID89194517
Molecular FormulaC13H28O9
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC Name2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol
SMILESCC(O)C(O)C(O)C(O)C(O)C(C)(O)C(O)C(O)C(C)(C)O
InChIInChI=1S/C13H28O9/c1-5(14)6(15)7(16)8(17)9(18)13(4,22)11(20)10(19)12(2,3)21/h5-11,14-22H,1-4H3
InChIKeyCYJVFFBXOHHJMK-UHFFFAOYSA-N
XLogP-3.95
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.36
LogP ≤ 5-3.95
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol?
The IUPAC name of 2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol (CID 89194517) is 2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol.
What is the SMILES notation for 2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol?
The canonical SMILES for 2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol is CC(O)C(O)C(O)C(O)C(O)C(C)(O)C(O)C(O)C(C)(C)O.
What is the InChIKey of 2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol?
The InChIKey is CYJVFFBXOHHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O9/c1-5(14)6(15)7(16)8(17)9(18)13(4,22)11(20)10(19)12(2,3)21/h5-11,14-22H,1-4H3.
What are the key properties of 2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol?
2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol has a molecular weight of 328.36 g/mol, XLogP of -3.95, 8 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylundecane-2,3,4,5,6,7,8,9,10-nonol is sourced from PubChem (CID 89194517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).