2-cyclohexylpropanoyl 2-cyclohexylpropanoate

C18H30O3 — CID 88630041

IUPAC2-cyclohexylpropanoyl 2-cyclohexylpropanoate
SMILESCC(C(=O)OC(=O)C(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30O3/c1-13(15-9-5-3-6-10-15)17(19)21-18(20)14(2)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3
InChIKeyBZLFQTDVGFRDIU-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.49
Rot. Bonds4

About 2-cyclohexylpropanoyl 2-cyclohexylpropanoate

2-cyclohexylpropanoyl 2-cyclohexylpropanoate (PubChem CID 88630041) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-cyclohexylpropanoyl 2-cyclohexylpropanoate.

Molecular Properties

Compound Name2-cyclohexylpropanoyl 2-cyclohexylpropanoate
PubChem CID88630041
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name2-cyclohexylpropanoyl 2-cyclohexylpropanoate
SMILESCC(C(=O)OC(=O)C(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30O3/c1-13(15-9-5-3-6-10-15)17(19)21-18(20)14(2)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3
InChIKeyBZLFQTDVGFRDIU-UHFFFAOYSA-N
XLogP4.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-cyclopentylpropanoate
CID 10654733
tert-butyl 2-cyclopentylpropanoate
CID 142496420
lithium;2-cyclohexylpropanamide;hydride
CID 173193796
2-cyclohexylpropanoyl chloride
CID 3016042
2-cyclohexyl-4-methylpentan-3-one
CID 14086898
(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
CID 68576140
2,4-dicyclohexylpentan-3-ylidenezirconium(2+)
CID 23078765
3-cyclohexyl-2-oxobutanoic acid
CID 13391916
2,3-bis(1-cyclohexylethyl)but-2-enedioic acid
CID 67547723
2-cyclohexyl-N-methylpropanehydrazide
CID 116845848
2-cyclopentylpropanoyl chloride
CID 18426767
2-cyclohexyl-N-methylpropanamide;ethane
CID 143855673

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropanoyl 2-cyclohexylpropanoate?
The IUPAC name of 2-cyclohexylpropanoyl 2-cyclohexylpropanoate (CID 88630041) is 2-cyclohexylpropanoyl 2-cyclohexylpropanoate.
What is the SMILES notation for 2-cyclohexylpropanoyl 2-cyclohexylpropanoate?
The canonical SMILES for 2-cyclohexylpropanoyl 2-cyclohexylpropanoate is CC(C(=O)OC(=O)C(C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpropanoyl 2-cyclohexylpropanoate?
The InChIKey is BZLFQTDVGFRDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-13(15-9-5-3-6-10-15)17(19)21-18(20)14(2)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexylpropanoyl 2-cyclohexylpropanoate?
2-cyclohexylpropanoyl 2-cyclohexylpropanoate has a molecular weight of 294.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropanoyl 2-cyclohexylpropanoate is sourced from PubChem (CID 88630041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).