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

C10H18O2 — CID 170988528

IUPAC(Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one
SMILESC/C=C(/C)C(=O)[C@H](C)[C@H](O)CC
InChIInChI=1S/C10H18O2/c1-5-7(3)10(12)8(4)9(11)6-2/h5,8-9,11H,6H2,1-4H3/b7-5-/t8-,9-/m1/s1
InChIKeyWOQKOBKJSKHLDI-XOPPAYCJSA-N
MW170.25 g/mol
LogP1.93
Rot. Bonds4

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

(Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one (PubChem CID 170988528) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one.

Molecular Properties

Compound Name(Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one
PubChem CID170988528
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one
SMILESC/C=C(/C)C(=O)[C@H](C)[C@H](O)CC
InChIInChI=1S/C10H18O2/c1-5-7(3)10(12)8(4)9(11)6-2/h5,8-9,11H,6H2,1-4H3/b7-5-/t8-,9-/m1/s1
InChIKeyWOQKOBKJSKHLDI-XOPPAYCJSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one?
The IUPAC name of (Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one (CID 170988528) is (Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one.
What is the SMILES notation for (Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one?
The canonical SMILES for (Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one is C/C=C(/C)C(=O)[C@H](C)[C@H](O)CC.
What is the InChIKey of (Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one?
The InChIKey is WOQKOBKJSKHLDI-XOPPAYCJSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-7(3)10(12)8(4)9(11)6-2/h5,8-9,11H,6H2,1-4H3/b7-5-/t8-,9-/m1/s1.
What are the key properties of (Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one?
(Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one has a molecular weight of 170.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R,6R)-6-hydroxy-3,5-dimethyloct-2-en-4-one is sourced from PubChem (CID 170988528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).