(E,2R,10R)-2,10-dihydroxyundec-6-en-5-one

C11H20O3 — CID 135019295

IUPAC(E,2R,10R)-2,10-dihydroxyundec-6-en-5-one
SMILESC[C@@H](O)CC/C=C/C(=O)CC[C@@H](C)O
InChIInChI=1S/C11H20O3/c1-9(12)5-3-4-6-11(14)8-7-10(2)13/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3/b6-4+/t9-,10-/m1/s1
InChIKeyUPPUKTAHZYRIPE-NEPGKVPFSA-N
MW200.28 g/mol
LogP1.43
Rot. Bonds7

About (E,2R,10R)-2,10-dihydroxyundec-6-en-5-one

(E,2R,10R)-2,10-dihydroxyundec-6-en-5-one (PubChem CID 135019295) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (E,2R,10R)-2,10-dihydroxyundec-6-en-5-one.

Molecular Properties

Compound Name(E,2R,10R)-2,10-dihydroxyundec-6-en-5-one
PubChem CID135019295
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(E,2R,10R)-2,10-dihydroxyundec-6-en-5-one
SMILESC[C@@H](O)CC/C=C/C(=O)CC[C@@H](C)O
InChIInChI=1S/C11H20O3/c1-9(12)5-3-4-6-11(14)8-7-10(2)13/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3/b6-4+/t9-,10-/m1/s1
InChIKeyUPPUKTAHZYRIPE-NEPGKVPFSA-N
XLogP1.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2R,10R)-2,10-dihydroxyundec-6-en-5-one?
The IUPAC name of (E,2R,10R)-2,10-dihydroxyundec-6-en-5-one (CID 135019295) is (E,2R,10R)-2,10-dihydroxyundec-6-en-5-one.
What is the SMILES notation for (E,2R,10R)-2,10-dihydroxyundec-6-en-5-one?
The canonical SMILES for (E,2R,10R)-2,10-dihydroxyundec-6-en-5-one is C[C@@H](O)CC/C=C/C(=O)CC[C@@H](C)O.
What is the InChIKey of (E,2R,10R)-2,10-dihydroxyundec-6-en-5-one?
The InChIKey is UPPUKTAHZYRIPE-NEPGKVPFSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(12)5-3-4-6-11(14)8-7-10(2)13/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3/b6-4+/t9-,10-/m1/s1.
What are the key properties of (E,2R,10R)-2,10-dihydroxyundec-6-en-5-one?
(E,2R,10R)-2,10-dihydroxyundec-6-en-5-one has a molecular weight of 200.28 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,10R)-2,10-dihydroxyundec-6-en-5-one is sourced from PubChem (CID 135019295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).