2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate

C15H28O4 — CID 91172344

IUPAC2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate
SMILESCC(C)COC(=O)C(C)O[C@H](C)OC1CCCCC1
InChIInChI=1S/C15H28O4/c1-11(2)10-17-15(16)12(3)18-13(4)19-14-8-6-5-7-9-14/h11-14H,5-10H2,1-4H3/t12?,13-/m0/s1
InChIKeySZXSJOHVEKDFLG-ABLWVSNPSA-N
MW272.38 g/mol
LogP3.29
Rot. Bonds7

About 2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate

2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate (PubChem CID 91172344) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate
PubChem CID91172344
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate
SMILESCC(C)COC(=O)C(C)O[C@H](C)OC1CCCCC1
InChIInChI=1S/C15H28O4/c1-11(2)10-17-15(16)12(3)18-13(4)19-14-8-6-5-7-9-14/h11-14H,5-10H2,1-4H3/t12?,13-/m0/s1
InChIKeySZXSJOHVEKDFLG-ABLWVSNPSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate?
The IUPAC name of 2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate (CID 91172344) is 2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate.
What is the SMILES notation for 2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate?
The canonical SMILES for 2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate is CC(C)COC(=O)C(C)O[C@H](C)OC1CCCCC1.
What is the InChIKey of 2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate?
The InChIKey is SZXSJOHVEKDFLG-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H28O4/c1-11(2)10-17-15(16)12(3)18-13(4)19-14-8-6-5-7-9-14/h11-14H,5-10H2,1-4H3/t12?,13-/m0/s1.
What are the key properties of 2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate?
2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate has a molecular weight of 272.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate is sourced from PubChem (CID 91172344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).