methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate

C14H24O6 — CID 547764

IUPACmethyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate
SMILESCOCCOCOC1CC(CC(=O)OC)C(C(C)=O)C1
InChIInChI=1S/C14H24O6/c1-10(15)13-8-12(20-9-19-5-4-17-2)6-11(13)7-14(16)18-3/h11-13H,4-9H2,1-3H3
InChIKeyCMGURGWUHFHZQJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.17
Rot. Bonds9

About methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate

methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate (PubChem CID 547764) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate
PubChem CID547764
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namemethyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate
SMILESCOCCOCOC1CC(CC(=O)OC)C(C(C)=O)C1
InChIInChI=1S/C14H24O6/c1-10(15)13-8-12(20-9-19-5-4-17-2)6-11(13)7-14(16)18-3/h11-13H,4-9H2,1-3H3
InChIKeyCMGURGWUHFHZQJ-UHFFFAOYSA-N
XLogP1.17
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 24813510
methyl (1S,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 135037971
Cyclopentane, 1-acetyl-2-(methoxycarbonylmethyl)-3,5-bis(2-methoxyethoxymethoxy)-
CID 547953
Cyclopentane, 1-(R)-acetyl-2-(S)-carboxymethyl-4-(R)-(2-methoxyethoxymethoxy)-
CID 547954
Cyclopentane, 1-(S)-(2-methyl-1,3-dioxolan-2-yl)-2-(R)-(methoxycarbonylmethyl)-4-(R)-(2-methoxyethoxymethoxy)-
CID 560016
Ethyl 7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 13089481
ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 13089482
Ethyl 8-ethyl-1,4-dioxaspiro[4,4]nonane-7-carboxylate
CID 58557462
(1S,2S,4R)-4-(methoxymethoxy)-2-methylcyclopentane-1-carboxylic acid
CID 132231400
Methyl 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 160440071
Methyl 2-(7-pentyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate
CID 172697432
Dimethyl 2,2'-[(7R,8S)-1,4-dioxaspiro[4.4]nonane-7,8-diyl]diacetate
CID 13038012

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate?
The IUPAC name of methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate (CID 547764) is methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate?
The canonical SMILES for methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate is COCCOCOC1CC(CC(=O)OC)C(C(C)=O)C1.
What is the InChIKey of methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate?
The InChIKey is CMGURGWUHFHZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-10(15)13-8-12(20-9-19-5-4-17-2)6-11(13)7-14(16)18-3/h11-13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate?
methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate has a molecular weight of 288.34 g/mol, XLogP of 1.17, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-acetyl-4-(2-methoxyethoxymethoxy)cyclopentyl]acetate is sourced from PubChem (CID 547764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).