methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate

C16H28O7 — CID 560016

IUPACmethyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate
SMILESCOCCOCOC1CC(CC(=O)OC)C(C2(C)OCCO2)C1
InChIInChI=1S/C16H28O7/c1-16(22-6-7-23-16)14-10-13(21-11-20-5-4-18-2)8-12(14)9-15(17)19-3/h12-14H,4-11H2,1-3H3
InChIKeyYETDZCULWNTDGF-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.34
Rot. Bonds9

About methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate

methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate (PubChem CID 560016) has the molecular formula C16H28O7 and a molecular weight of 332.39 g/mol. Its IUPAC name is methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate
PubChem CID560016
Molecular FormulaC16H28O7
Molecular Weight332.39 g/mol
Exact Mass332.18
IUPAC Namemethyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate
SMILESCOCCOCOC1CC(CC(=O)OC)C(C2(C)OCCO2)C1
InChIInChI=1S/C16H28O7/c1-16(22-6-7-23-16)14-10-13(21-11-20-5-4-18-2)8-12(14)9-15(17)19-3/h12-14H,4-11H2,1-3H3
InChIKeyYETDZCULWNTDGF-UHFFFAOYSA-N
XLogP1.34
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3-(1,4-Dioxaspiro[4.4]non-6-yl)propionic acid methyl ester
CID 10798675
Propanoic acid, 3-(2,3,6-trimethyl-1,4-dioxaspiro[4.4]non-7-yl)-, methyl ester
CID 581270
(1'S,4'aR,7'aR)-1'-methylspiro[1,3-dioxolane-2,6'-1,4,4a,5,7,7a-hexahydrocyclopenta[c]pyran]-3'-one
CID 14467427
Ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methylpropanoate
CID 135011047
Tert-butyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-3-methylbutanoate
CID 135011234
Tert-butyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)butanoate
CID 135038740
Tert-butyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)propanoate
CID 135038779
(3As,4s,6ar)-4-(methoxymethoxy)hexahydro-1h-cyclopenta[c]furan-1-one
CID 172645651
Cyclopentane, 1-(S)-acetyl-2-(R)-methoxycarbonylmethyl-4-(R)-(2-methoxyethoxymethoxy)-
CID 547764
Cyclopentane, 1-(S)-(2-methyl-1,3-dioxolan-2-yl)-2-(R)-formylmethyl-4-(R)-(2-methoxyethoxymethoxy)-
CID 560017
3-Oxabicyclo[3.3.0]octan-2-one, 4,7,7-tris(methoxy)-
CID 566262
1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylic acid, diethyl ester
CID 588504

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate?
The IUPAC name of methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate (CID 560016) is methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate?
The canonical SMILES for methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate is COCCOCOC1CC(CC(=O)OC)C(C2(C)OCCO2)C1.
What is the InChIKey of methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate?
The InChIKey is YETDZCULWNTDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O7/c1-16(22-6-7-23-16)14-10-13(21-11-20-5-4-18-2)8-12(14)9-15(17)19-3/h12-14H,4-11H2,1-3H3.
What are the key properties of methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate?
methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate has a molecular weight of 332.39 g/mol, XLogP of 1.34, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetate is sourced from PubChem (CID 560016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).