3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol

C11H22O4 — CID 103404372

IUPAC3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol
SMILESCOCCOCCCOC1CCC(O)C1
InChIInChI=1S/C11H22O4/c1-13-7-8-14-5-2-6-15-11-4-3-10(12)9-11/h10-12H,2-9H2,1H3
InChIKeyXIDVBGLLIQTLHM-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.97
Rot. Bonds8

About 3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol

3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol (PubChem CID 103404372) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol
PubChem CID103404372
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol
SMILESCOCCOCCCOC1CCC(O)C1
InChIInChI=1S/C11H22O4/c1-13-7-8-14-5-2-6-15-11-4-3-10(12)9-11/h10-12H,2-9H2,1H3
InChIKeyXIDVBGLLIQTLHM-UHFFFAOYSA-N
XLogP0.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol?
The IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol (CID 103404372) is 3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol is COCCOCCCOC1CCC(O)C1.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol?
The InChIKey is XIDVBGLLIQTLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-13-7-8-14-5-2-6-15-11-4-3-10(12)9-11/h10-12H,2-9H2,1H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol?
3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol has a molecular weight of 218.29 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol is sourced from PubChem (CID 103404372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).