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

C15H28O6 — CID 560113

IUPAC2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
SMILESCOCCOCOC1CC(CCO)C(C2(C)OCCO2)C1
InChIInChI=1S/C15H28O6/c1-15(20-7-8-21-15)14-10-13(9-12(14)3-4-16)19-11-18-6-5-17-2/h12-14,16H,3-11H2,1-2H3
InChIKeyQXIKAUFRCRNQOV-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.16
Rot. Bonds9

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

2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol (PubChem CID 560113) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
PubChem CID560113
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
SMILESCOCCOCOC1CC(CCO)C(C2(C)OCCO2)C1
InChIInChI=1S/C15H28O6/c1-15(20-7-8-21-15)14-10-13(9-12(14)3-4-16)19-11-18-6-5-17-2/h12-14,16H,3-11H2,1-2H3
InChIKeyQXIKAUFRCRNQOV-UHFFFAOYSA-N
XLogP1.16
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol?
The IUPAC name of 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol (CID 560113) is 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol.
What is the SMILES notation for 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol?
The canonical SMILES for 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol is COCCOCOC1CC(CCO)C(C2(C)OCCO2)C1.
What is the InChIKey of 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol?
The InChIKey is QXIKAUFRCRNQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-15(20-7-8-21-15)14-10-13(9-12(14)3-4-16)19-11-18-6-5-17-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol?
2-[4-(2-methoxyethoxymethoxy)-2-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol has a molecular weight of 304.38 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 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]ethanol is sourced from PubChem (CID 560113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).