2-propanoyloxyethyl 2-cyclohexylpropanoate

C14H24O4 — CID 142609761

IUPAC2-propanoyloxyethyl 2-cyclohexylpropanoate
SMILESCCC(=O)OCCOC(=O)C(C)C1CCCCC1
InChIInChI=1S/C14H24O4/c1-3-13(15)17-9-10-18-14(16)11(2)12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyOXDASXISTMGZEI-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.70
Rot. Bonds6

About 2-propanoyloxyethyl 2-cyclohexylpropanoate

2-propanoyloxyethyl 2-cyclohexylpropanoate (PubChem CID 142609761) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-propanoyloxyethyl 2-cyclohexylpropanoate.

Molecular Properties

Compound Name2-propanoyloxyethyl 2-cyclohexylpropanoate
PubChem CID142609761
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-propanoyloxyethyl 2-cyclohexylpropanoate
SMILESCCC(=O)OCCOC(=O)C(C)C1CCCCC1
InChIInChI=1S/C14H24O4/c1-3-13(15)17-9-10-18-14(16)11(2)12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyOXDASXISTMGZEI-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
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 2-propanoyloxyethyl 2-cyclohexylpropanoate?
The IUPAC name of 2-propanoyloxyethyl 2-cyclohexylpropanoate (CID 142609761) is 2-propanoyloxyethyl 2-cyclohexylpropanoate.
What is the SMILES notation for 2-propanoyloxyethyl 2-cyclohexylpropanoate?
The canonical SMILES for 2-propanoyloxyethyl 2-cyclohexylpropanoate is CCC(=O)OCCOC(=O)C(C)C1CCCCC1.
What is the InChIKey of 2-propanoyloxyethyl 2-cyclohexylpropanoate?
The InChIKey is OXDASXISTMGZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-13(15)17-9-10-18-14(16)11(2)12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-propanoyloxyethyl 2-cyclohexylpropanoate?
2-propanoyloxyethyl 2-cyclohexylpropanoate has a molecular weight of 256.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanoyloxyethyl 2-cyclohexylpropanoate is sourced from PubChem (CID 142609761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).