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

C15H26O6 — CID 560017

IUPAC2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde
SMILESCOCCOCOC1CC(CC=O)C(C2(C)OCCO2)C1
InChIInChI=1S/C15H26O6/c1-15(20-7-8-21-15)14-10-13(9-12(14)3-4-16)19-11-18-6-5-17-2/h4,12-14H,3,5-11H2,1-2H3
InChIKeyXDHQUPAWCCLLOH-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.37
Rot. Bonds9

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

2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde (PubChem CID 560017) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde
PubChem CID560017
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde
SMILESCOCCOCOC1CC(CC=O)C(C2(C)OCCO2)C1
InChIInChI=1S/C15H26O6/c1-15(20-7-8-21-15)14-10-13(9-12(14)3-4-16)19-11-18-6-5-17-2/h4,12-14H,3,5-11H2,1-2H3
InChIKeyXDHQUPAWCCLLOH-UHFFFAOYSA-N
XLogP1.37
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
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-(S)-(2-methyl-1,3-dioxolan-2-yl)-2-(R)-(methoxycarbonylmethyl)-4-(R)-(2-methoxyethoxymethoxy)-
CID 560016
1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylic acid, diethyl ester
CID 588504
(1R,3aS,5R,6aR)-5-(2-methoxyethoxymethoxy)-1-(3-methoxypropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 10040592
methyl 2-[(8R,9R)-9-(2-oxoethyl)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate
CID 10681625
Dimethyl 1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774285
dimethyl (7R,8R)-1,4-dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774286
dimethyl (7S,8R)-1,4-dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774287
2,2'-[(7R,8S)-1,4-Dioxaspiro[4.4]nonane-7,8-diyl]diacetaldehyde
CID 12783068
Ethyl 7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 13089481

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde?
The IUPAC name of 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde (CID 560017) is 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde?
The canonical SMILES for 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde is COCCOCOC1CC(CC=O)C(C2(C)OCCO2)C1.
What is the InChIKey of 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde?
The InChIKey is XDHQUPAWCCLLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6/c1-15(20-7-8-21-15)14-10-13(9-12(14)3-4-16)19-11-18-6-5-17-2/h4,12-14H,3,5-11H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde?
2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde has a molecular weight of 302.37 g/mol, XLogP of 1.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]acetaldehyde is sourced from PubChem (CID 560017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).