methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate

C11H16O5 — CID 11593798

IUPACmethyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
SMILESCOC(=O)CC[C@]1(C(=O)OC)CCCC1=O
InChIInChI=1S/C11H16O5/c1-15-9(13)5-7-11(10(14)16-2)6-3-4-8(11)12/h3-7H2,1-2H3/t11-/m1/s1
InChIKeyMQHKDKXKZDSRNI-LLVKDONJSA-N
MW228.24 g/mol
LogP0.85
Rot. Bonds4

About methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate

methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate (PubChem CID 11593798) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
PubChem CID11593798
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
SMILESCOC(=O)CC[C@]1(C(=O)OC)CCCC1=O
InChIInChI=1S/C11H16O5/c1-15-9(13)5-7-11(10(14)16-2)6-3-4-8(11)12/h3-7H2,1-2H3/t11-/m1/s1
InChIKeyMQHKDKXKZDSRNI-LLVKDONJSA-N
XLogP0.85
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(3-methylbut-3-enyl)-2-oxocyclopentane-1-carboxylate
CID 13346573
methyl 2-oxo-1-propylcyclopentane-1-carboxylate
CID 10535487
methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate
CID 10584641
methyl 2-oxo-1-(3-oxopropyl)cyclohexane-1-carboxylate
CID 11806001
methyl 3-(1-methyl-2-oxocycloheptyl)propanoate
CID 14691914
methyl (1R)-1-[(4-chlorophenyl)methyl]-2-oxocyclopentane-1-carboxylate
CID 7100553
methyl 3-(2-oxo-1-propylcyclohexyl)propanoate
CID 22757286
methyl 2-oxo-1-prop-2-ynylcycloheptane-1-carboxylate
CID 121003047
methyl (1S)-1-benzyl-2-oxocyclohexane-1-carboxylate
CID 13267388
methyl 1-[(4-chlorophenyl)methyl]-2-oxocyclohexane-1-carboxylate
CID 5255758
ethyl 1-octyl-2-oxocyclopentane-1-carboxylate
CID 14921673
propyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate
CID 139990043

Frequently Asked Questions

What is the IUPAC name of methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate?
The IUPAC name of methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate (CID 11593798) is methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate is COC(=O)CC[C@]1(C(=O)OC)CCCC1=O.
What is the InChIKey of methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate?
The InChIKey is MQHKDKXKZDSRNI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O5/c1-15-9(13)5-7-11(10(14)16-2)6-3-4-8(11)12/h3-7H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate?
methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate has a molecular weight of 228.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 11593798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).