diethyl 2-cyclohexyl-3-cyclopentylbutanedioate

C19H32O4 — CID 22241844

IUPACdiethyl 2-cyclohexyl-3-cyclopentylbutanedioate
SMILESCCOC(=O)C(C1CCCCC1)C(C(=O)OCC)C1CCCC1
InChIInChI=1S/C19H32O4/c1-3-22-18(20)16(14-10-6-5-7-11-14)17(19(21)23-4-2)15-12-8-9-13-15/h14-17H,3-13H2,1-2H3
InChIKeyVCDQCWPPWOKHRK-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.12
Rot. Bonds7

About diethyl 2-cyclohexyl-3-cyclopentylbutanedioate

diethyl 2-cyclohexyl-3-cyclopentylbutanedioate (PubChem CID 22241844) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is diethyl 2-cyclohexyl-3-cyclopentylbutanedioate.

Molecular Properties

Compound Namediethyl 2-cyclohexyl-3-cyclopentylbutanedioate
PubChem CID22241844
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Namediethyl 2-cyclohexyl-3-cyclopentylbutanedioate
SMILESCCOC(=O)C(C1CCCCC1)C(C(=O)OCC)C1CCCC1
InChIInChI=1S/C19H32O4/c1-3-22-18(20)16(14-10-6-5-7-11-14)17(19(21)23-4-2)15-12-8-9-13-15/h14-17H,3-13H2,1-2H3
InChIKeyVCDQCWPPWOKHRK-UHFFFAOYSA-N
XLogP4.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-2-cyclopentyl-4-ethoxy-4-oxobutanoic acid
CID 150375972
ethyl (2S,3S)-3-amino-2-cyclohexyl-4,4,4-trifluorobutanoate
CID 151431520
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl (2R)-3-amino-2-cyclohexylpropanoate
CID 86315774
diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
ethyl 2-cyclohexyl-2-methylsulfonylacetate
CID 102551218
ethyl 2-cyclohexyl-3-ethoxypropanoate
CID 66831061
ethyl (2R)-2-cyclohexyl-2-ethylsulfonylacetate
CID 99991155
ethyl 2-cyclohexyl-4-hydroxypentanoate
CID 10466333
ethyl 2-cyclohexyl-2-piperidin-1-ylacetate
CID 117066804
bis(4-methylpentyl) 2,3-dicyclohexylbutanedioate
CID 141183433
ethyl 4-chloro-4-cyclohexyl-2-methyl-3-oxobutanoate
CID 57041187

Frequently Asked Questions

What is the IUPAC name of diethyl 2-cyclohexyl-3-cyclopentylbutanedioate?
The IUPAC name of diethyl 2-cyclohexyl-3-cyclopentylbutanedioate (CID 22241844) is diethyl 2-cyclohexyl-3-cyclopentylbutanedioate.
What is the SMILES notation for diethyl 2-cyclohexyl-3-cyclopentylbutanedioate?
The canonical SMILES for diethyl 2-cyclohexyl-3-cyclopentylbutanedioate is CCOC(=O)C(C1CCCCC1)C(C(=O)OCC)C1CCCC1.
What is the InChIKey of diethyl 2-cyclohexyl-3-cyclopentylbutanedioate?
The InChIKey is VCDQCWPPWOKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-3-22-18(20)16(14-10-6-5-7-11-14)17(19(21)23-4-2)15-12-8-9-13-15/h14-17H,3-13H2,1-2H3.
What are the key properties of diethyl 2-cyclohexyl-3-cyclopentylbutanedioate?
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate has a molecular weight of 324.46 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-cyclohexyl-3-cyclopentylbutanedioate is sourced from PubChem (CID 22241844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).