(4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one

C14H24O6 — CID 71484393

IUPAC(4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one
SMILESCOCOCC1=C[C@@H](O)[C@H](C)[C@](C)(COCOC)C1=O
InChIInChI=1S/C14H24O6/c1-10-12(15)5-11(6-19-8-17-3)13(16)14(10,2)7-20-9-18-4/h5,10,12,15H,6-9H2,1-4H3/t10-,12+,14-/m0/s1
InChIKeyWYNZIIIJQTUFEJ-SUHUHFCYSA-N
MW288.34 g/mol
LogP0.74
Rot. Bonds8

About (4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one

(4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one (PubChem CID 71484393) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is (4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one
PubChem CID71484393
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name(4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one
SMILESCOCOCC1=C[C@@H](O)[C@H](C)[C@](C)(COCOC)C1=O
InChIInChI=1S/C14H24O6/c1-10-12(15)5-11(6-19-8-17-3)13(16)14(10,2)7-20-9-18-4/h5,10,12,15H,6-9H2,1-4H3/t10-,12+,14-/m0/s1
InChIKeyWYNZIIIJQTUFEJ-SUHUHFCYSA-N
XLogP0.74
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of (4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one (CID 71484393) is (4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for (4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for (4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one is COCOCC1=C[C@@H](O)[C@H](C)[C@](C)(COCOC)C1=O.
What is the InChIKey of (4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one?
The InChIKey is WYNZIIIJQTUFEJ-SUHUHFCYSA-N. The full InChI is InChI=1S/C14H24O6/c1-10-12(15)5-11(6-19-8-17-3)13(16)14(10,2)7-20-9-18-4/h5,10,12,15H,6-9H2,1-4H3/t10-,12+,14-/m0/s1.
What are the key properties of (4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one?
(4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one has a molecular weight of 288.34 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-4-hydroxy-2,6-bis(methoxymethoxymethyl)-5,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 71484393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).