methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate

C15H26O4 — CID 10468362

IUPACmethyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1CC[C@H](OC(C)(C)C)[C@@]1(C)CC=O
InChIInChI=1S/C15H26O4/c1-14(2,3)19-12-7-6-11(10-13(17)18-5)15(12,4)8-9-16/h9,11-12H,6-8,10H2,1-5H3/t11-,12+,15+/m1/s1
InChIKeyRMUOAQRSGJDKBX-XUJVJEKNSA-N
MW270.37 g/mol
LogP2.74
Rot. Bonds5

About methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate

methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate (PubChem CID 10468362) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate
PubChem CID10468362
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namemethyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1CC[C@H](OC(C)(C)C)[C@@]1(C)CC=O
InChIInChI=1S/C15H26O4/c1-14(2,3)19-12-7-6-11(10-13(17)18-5)15(12,4)8-9-16/h9,11-12H,6-8,10H2,1-5H3/t11-,12+,15+/m1/s1
InChIKeyRMUOAQRSGJDKBX-XUJVJEKNSA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate with MolForge

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Related Compounds

Dimethyl 2-(3-methoxy-1,2,2-trimethylcyclopentyl)propanedioate
CID 3936007
Methyl 2-[(2R)-1,2-dimethyl-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 162420343
Methyl 2-[(2S)-1,2-dimethyl-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 162420344
Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate
CID 262813
Cyclopentanecarboxylic acid, 3-acetoxy-2-acetoxymethyl-4,4-dimethyl-, methyl ester
CID 598336
2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetic acid
CID 10106461
2-(2-Formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate
CID 19349298
Methyl 7-(2-acetyloxy-5-formylcyclopentyl)heptanoate
CID 21319559
methyl 7-[(1R,2S,5S)-2-acetyloxy-5-formylcyclopentyl]heptanoate
CID 57211738
cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
CID 58476984
Methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
CID 58476988
Ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate
CID 58645261

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate (CID 10468362) is methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate is COC(=O)C[C@H]1CC[C@H](OC(C)(C)C)[C@@]1(C)CC=O.
What is the InChIKey of methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate?
The InChIKey is RMUOAQRSGJDKBX-XUJVJEKNSA-N. The full InChI is InChI=1S/C15H26O4/c1-14(2,3)19-12-7-6-11(10-13(17)18-5)15(12,4)8-9-16/h9,11-12H,6-8,10H2,1-5H3/t11-,12+,15+/m1/s1.
What are the key properties of methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate?
methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate has a molecular weight of 270.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethyl)cyclopentyl]acetate is sourced from PubChem (CID 10468362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).