diethyl 2,3-dicyclopentyloxybutanedioate

C18H30O6 — CID 139989407

IUPACdiethyl 2,3-dicyclopentyloxybutanedioate
SMILESCCOC(=O)C(OC1CCCC1)C(OC1CCCC1)C(=O)OCC
InChIInChI=1S/C18H30O6/c1-3-21-17(19)15(23-13-9-5-6-10-13)16(18(20)22-4-2)24-14-11-7-8-12-14/h13-16H,3-12H2,1-2H3
InChIKeyXANOEJDJBDKOJR-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.77
Rot. Bonds9

About diethyl 2,3-dicyclopentyloxybutanedioate

diethyl 2,3-dicyclopentyloxybutanedioate (PubChem CID 139989407) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is diethyl 2,3-dicyclopentyloxybutanedioate.

Molecular Properties

Compound Namediethyl 2,3-dicyclopentyloxybutanedioate
PubChem CID139989407
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Namediethyl 2,3-dicyclopentyloxybutanedioate
SMILESCCOC(=O)C(OC1CCCC1)C(OC1CCCC1)C(=O)OCC
InChIInChI=1S/C18H30O6/c1-3-21-17(19)15(23-13-9-5-6-10-13)16(18(20)22-4-2)24-14-11-7-8-12-14/h13-16H,3-12H2,1-2H3
InChIKeyXANOEJDJBDKOJR-UHFFFAOYSA-N
XLogP2.77
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-cyclohexyloxybutanedioate
CID 139989318
(2R,3R)-2,3-dicyclohexyloxybutanedioic acid
CID 90149743
(2S)-2-cyclopropyloxy-3-methylpentanoic acid
CID 170443442
ethyl 2-cyclopentylpropanoate
CID 10654733
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate
CID 79356559
(4S)-4-cyclopentyloxy-2-methylheptan-3-one
CID 176614620
ethyl 2-cyclohexyloxyprop-2-enoate
CID 66651872
diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
ethyl 2-(2-aminocyclohexyl)oxypropanoate
CID 106940844
ethyl 2-(4,4-dimethylcyclohexyl)oxy-2-fluoroacetate
CID 114340350
ethyl 2-(4,4-dimethylcyclohexyl)oxybutanoate
CID 114340349

Frequently Asked Questions

What is the IUPAC name of diethyl 2,3-dicyclopentyloxybutanedioate?
The IUPAC name of diethyl 2,3-dicyclopentyloxybutanedioate (CID 139989407) is diethyl 2,3-dicyclopentyloxybutanedioate.
What is the SMILES notation for diethyl 2,3-dicyclopentyloxybutanedioate?
The canonical SMILES for diethyl 2,3-dicyclopentyloxybutanedioate is CCOC(=O)C(OC1CCCC1)C(OC1CCCC1)C(=O)OCC.
What is the InChIKey of diethyl 2,3-dicyclopentyloxybutanedioate?
The InChIKey is XANOEJDJBDKOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c1-3-21-17(19)15(23-13-9-5-6-10-13)16(18(20)22-4-2)24-14-11-7-8-12-14/h13-16H,3-12H2,1-2H3.
What are the key properties of diethyl 2,3-dicyclopentyloxybutanedioate?
diethyl 2,3-dicyclopentyloxybutanedioate has a molecular weight of 342.43 g/mol, XLogP of 2.77, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3-dicyclopentyloxybutanedioate is sourced from PubChem (CID 139989407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).