methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate

C10H16O4 — CID 134859775

IUPACmethyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate
SMILESCOC(=O)[C@H](O)[C@@H]1C[C@@H](C)CCC1=O
InChIInChI=1S/C10H16O4/c1-6-3-4-8(11)7(5-6)9(12)10(13)14-2/h6-7,9,12H,3-5H2,1-2H3/t6-,7+,9+/m0/s1
InChIKeyGXIWOBVMXMKSIK-LKEWCRSYSA-N
MW200.23 g/mol
LogP0.53
Rot. Bonds2

About methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate

methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate (PubChem CID 134859775) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate
PubChem CID134859775
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate
SMILESCOC(=O)[C@H](O)[C@@H]1C[C@@H](C)CCC1=O
InChIInChI=1S/C10H16O4/c1-6-3-4-8(11)7(5-6)9(12)10(13)14-2/h6-7,9,12H,3-5H2,1-2H3/t6-,7+,9+/m0/s1
InChIKeyGXIWOBVMXMKSIK-LKEWCRSYSA-N
XLogP0.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate?
The IUPAC name of methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate (CID 134859775) is methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate is COC(=O)[C@H](O)[C@@H]1C[C@@H](C)CCC1=O.
What is the InChIKey of methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate?
The InChIKey is GXIWOBVMXMKSIK-LKEWCRSYSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-3-4-8(11)7(5-6)9(12)10(13)14-2/h6-7,9,12H,3-5H2,1-2H3/t6-,7+,9+/m0/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate?
methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate has a molecular weight of 200.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-[(1S,5S)-5-methyl-2-oxocyclohexyl]acetate is sourced from PubChem (CID 134859775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).