methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate

C14H24O5 — CID 143419896

IUPACmethyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CC[C@@H](OCCOC2CCCCO2)C1
InChIInChI=1S/C14H24O5/c1-16-14(15)11-5-6-12(10-11)17-8-9-19-13-4-2-3-7-18-13/h11-13H,2-10H2,1H3/t11?,12-,13?/m1/s1
InChIKeyMZQNNGXJDFGWSL-OTTFEQOBSA-N
MW272.34 g/mol
LogP1.89
Rot. Bonds6

About methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate

methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate (PubChem CID 143419896) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate
PubChem CID143419896
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namemethyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CC[C@@H](OCCOC2CCCCO2)C1
InChIInChI=1S/C14H24O5/c1-16-14(15)11-5-6-12(10-11)17-8-9-19-13-4-2-3-7-18-13/h11-13H,2-10H2,1H3/t11?,12-,13?/m1/s1
InChIKeyMZQNNGXJDFGWSL-OTTFEQOBSA-N
XLogP1.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate?
The IUPAC name of methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate (CID 143419896) is methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate?
The canonical SMILES for methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate is COC(=O)C1CC[C@@H](OCCOC2CCCCO2)C1.
What is the InChIKey of methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate?
The InChIKey is MZQNNGXJDFGWSL-OTTFEQOBSA-N. The full InChI is InChI=1S/C14H24O5/c1-16-14(15)11-5-6-12(10-11)17-8-9-19-13-4-2-3-7-18-13/h11-13H,2-10H2,1H3/t11?,12-,13?/m1/s1.
What are the key properties of methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate?
methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[2-(oxan-2-yloxy)ethoxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 143419896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).