methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate

C10H14O5 — CID 163062008

IUPACmethyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate
SMILESCOC(=O)C[C@@]1(O)C=CC(=O)C[C@@H]1OC
InChIInChI=1S/C10H14O5/c1-14-8-5-7(11)3-4-10(8,13)6-9(12)15-2/h3-4,8,13H,5-6H2,1-2H3/t8-,10-/m0/s1
InChIKeyVQDHHHMWJHYEMS-WPRPVWTQSA-N
MW214.22 g/mol
LogP-0.18
Rot. Bonds3

About methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate

methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate (PubChem CID 163062008) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate
PubChem CID163062008
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate
SMILESCOC(=O)C[C@@]1(O)C=CC(=O)C[C@@H]1OC
InChIInChI=1S/C10H14O5/c1-14-8-5-7(11)3-4-10(8,13)6-9(12)15-2/h3-4,8,13H,5-6H2,1-2H3/t8-,10-/m0/s1
InChIKeyVQDHHHMWJHYEMS-WPRPVWTQSA-N
XLogP-0.18
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate 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 methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate?
The IUPAC name of methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate (CID 163062008) is methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate.
What is the SMILES notation for methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate?
The canonical SMILES for methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate is COC(=O)C[C@@]1(O)C=CC(=O)C[C@@H]1OC.
What is the InChIKey of methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate?
The InChIKey is VQDHHHMWJHYEMS-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H14O5/c1-14-8-5-7(11)3-4-10(8,13)6-9(12)15-2/h3-4,8,13H,5-6H2,1-2H3/t8-,10-/m0/s1.
What are the key properties of methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate?
methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate has a molecular weight of 214.22 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]acetate is sourced from PubChem (CID 163062008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).