(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one

C11H20O2 — CID 5363779

IUPAC(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
SMILESCC(C)(C)C(=O)/C=C(\O)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7,12H,1-6H3/b8-7-
InChIKeySOZFXLUMSLXZFW-FPLPWBNLSA-N
MW184.28 g/mol
LogP3.09
Rot. Bonds1

About (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one

(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one (PubChem CID 5363779) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
PubChem CID5363779
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
SMILESCC(C)(C)C(=O)/C=C(\O)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7,12H,1-6H3/b8-7-
InChIKeySOZFXLUMSLXZFW-FPLPWBNLSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one?
The IUPAC name of (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one (CID 5363779) is (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one.
What is the SMILES notation for (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one?
The canonical SMILES for (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one is CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.
What is the InChIKey of (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one?
The InChIKey is SOZFXLUMSLXZFW-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7,12H,1-6H3/b8-7-.
What are the key properties of (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one?
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one has a molecular weight of 184.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one is sourced from PubChem (CID 5363779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).