diethyl 2-cyclohexyloxybutanedioate

C14H24O5 — CID 139989318

IUPACdiethyl 2-cyclohexyloxybutanedioate
SMILESCCOC(=O)CC(OC1CCCCC1)C(=O)OCC
InChIInChI=1S/C14H24O5/c1-3-17-13(15)10-12(14(16)18-4-2)19-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeySUPKDPIVOQAKJP-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.22
Rot. Bonds7

About diethyl 2-cyclohexyloxybutanedioate

diethyl 2-cyclohexyloxybutanedioate (PubChem CID 139989318) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is diethyl 2-cyclohexyloxybutanedioate.

Molecular Properties

Compound Namediethyl 2-cyclohexyloxybutanedioate
PubChem CID139989318
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namediethyl 2-cyclohexyloxybutanedioate
SMILESCCOC(=O)CC(OC1CCCCC1)C(=O)OCC
InChIInChI=1S/C14H24O5/c1-3-17-13(15)10-12(14(16)18-4-2)19-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeySUPKDPIVOQAKJP-UHFFFAOYSA-N
XLogP2.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2,3-dicyclopentyloxybutanedioate
CID 139989407
ethyl 2-(4,4-dimethylcyclohexyl)oxybutanoate
CID 114340349
(4S)-4-cyclopentyloxy-2-methylheptan-3-one
CID 176614620
ethyl 2-piperidin-4-yloxypentanoate
CID 106939245
ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate
CID 106940483
diethyl 2-propan-2-yloxybutanedioate
CID 139989245
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl 3-(2-cyclohexyloxyethylamino)butanoate
CID 63828571
ethyl 3-cyclopentylsulfonylbutanoate
CID 63114568
(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
CID 68576140
methyl 2-cyclopropyloxybutanoate
CID 175037887

Frequently Asked Questions

What is the IUPAC name of diethyl 2-cyclohexyloxybutanedioate?
The IUPAC name of diethyl 2-cyclohexyloxybutanedioate (CID 139989318) is diethyl 2-cyclohexyloxybutanedioate.
What is the SMILES notation for diethyl 2-cyclohexyloxybutanedioate?
The canonical SMILES for diethyl 2-cyclohexyloxybutanedioate is CCOC(=O)CC(OC1CCCCC1)C(=O)OCC.
What is the InChIKey of diethyl 2-cyclohexyloxybutanedioate?
The InChIKey is SUPKDPIVOQAKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-3-17-13(15)10-12(14(16)18-4-2)19-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of diethyl 2-cyclohexyloxybutanedioate?
diethyl 2-cyclohexyloxybutanedioate has a molecular weight of 272.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-cyclohexyloxybutanedioate is sourced from PubChem (CID 139989318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).