methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate

C10H16O3 — CID 162420346

IUPACmethyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate
SMILESCOC(=O)C[C@]1(C)CCC(=O)C1C
InChIInChI=1S/C10H16O3/c1-7-8(11)4-5-10(7,2)6-9(12)13-3/h7H,4-6H2,1-3H3/t7?,10-/m0/s1
InChIKeyDXWJVFNAUVZEKL-MHPPCMCBSA-N
MW184.23 g/mol
LogP1.55
Rot. Bonds2

About methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate

methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate (PubChem CID 162420346) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate
PubChem CID162420346
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate
SMILESCOC(=O)C[C@]1(C)CCC(=O)C1C
InChIInChI=1S/C10H16O3/c1-7-8(11)4-5-10(7,2)6-9(12)13-3/h7H,4-6H2,1-3H3/t7?,10-/m0/s1
InChIKeyDXWJVFNAUVZEKL-MHPPCMCBSA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate?
The IUPAC name of methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate (CID 162420346) is methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate is COC(=O)C[C@]1(C)CCC(=O)C1C.
What is the InChIKey of methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate?
The InChIKey is DXWJVFNAUVZEKL-MHPPCMCBSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-8(11)4-5-10(7,2)6-9(12)13-3/h7H,4-6H2,1-3H3/t7?,10-/m0/s1.
What are the key properties of methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate?
methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate has a molecular weight of 184.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate is sourced from PubChem (CID 162420346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).