2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate

C15H26O4 — CID 142609759

IUPAC2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate
SMILESCCC(=O)OCCOC(=O)C(C)C1CCCC(C)C1
InChIInChI=1S/C15H26O4/c1-4-14(16)18-8-9-19-15(17)12(3)13-7-5-6-11(2)10-13/h11-13H,4-10H2,1-3H3
InChIKeyJHVVBGIHZJRWDR-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.95
Rot. Bonds6

About 2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate

2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate (PubChem CID 142609759) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate.

Molecular Properties

Compound Name2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate
PubChem CID142609759
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate
SMILESCCC(=O)OCCOC(=O)C(C)C1CCCC(C)C1
InChIInChI=1S/C15H26O4/c1-4-14(16)18-8-9-19-15(17)12(3)13-7-5-6-11(2)10-13/h11-13H,4-10H2,1-3H3
InChIKeyJHVVBGIHZJRWDR-UHFFFAOYSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.95
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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Related Compounds

2-propanoyloxyethyl 2-(3,3-dimethylcyclohexyl)propanoate
CID 142609752
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
1-methyl-3-(3-methylbut-3-en-2-yl)cyclohexane
CID 139213261
ethyl 2-cyclopentylpropanoate
CID 10654733
1-(3-methylcyclohexyl)butane-1,2-diol
CID 103454489
methyl (3S)-3-amino-3-(3-methylcyclohexyl)propanoate
CID 104941132
2-amino-2-(3-methylcyclohexyl)acetamide
CID 64990710
ethyl 2-fluoro-3-hydroxy-3-(3-methylcyclohexyl)propanoate
CID 79366383
(3-methylcyclohexyl) 2,3-dihydroxypropanoate;propane
CID 143971653
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132

Frequently Asked Questions

What is the IUPAC name of 2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate?
The IUPAC name of 2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate (CID 142609759) is 2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate.
What is the SMILES notation for 2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate?
The canonical SMILES for 2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate is CCC(=O)OCCOC(=O)C(C)C1CCCC(C)C1.
What is the InChIKey of 2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate?
The InChIKey is JHVVBGIHZJRWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-14(16)18-8-9-19-15(17)12(3)13-7-5-6-11(2)10-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate?
2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate has a molecular weight of 270.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate is sourced from PubChem (CID 142609759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).