diethyl 1-propylcyclohexane-1,2-dicarboxylate

C15H26O4 — CID 146562592

IUPACdiethyl 1-propylcyclohexane-1,2-dicarboxylate
SMILESCCCC1(C(=O)OCC)CCCCC1C(=O)OCC
InChIInChI=1S/C15H26O4/c1-4-10-15(14(17)19-6-3)11-8-7-9-12(15)13(16)18-5-2/h12H,4-11H2,1-3H3
InChIKeyRLOUEVRYGQZLPM-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.09
Rot. Bonds6

About diethyl 1-propylcyclohexane-1,2-dicarboxylate

diethyl 1-propylcyclohexane-1,2-dicarboxylate (PubChem CID 146562592) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is diethyl 1-propylcyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-propylcyclohexane-1,2-dicarboxylate
PubChem CID146562592
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namediethyl 1-propylcyclohexane-1,2-dicarboxylate
SMILESCCCC1(C(=O)OCC)CCCCC1C(=O)OCC
InChIInChI=1S/C15H26O4/c1-4-10-15(14(17)19-6-3)11-8-7-9-12(15)13(16)18-5-2/h12H,4-11H2,1-3H3
InChIKeyRLOUEVRYGQZLPM-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate
CID 70449516
1-propylcyclohexane-1,2-dicarboxylic acid
CID 18175920
trans-ethyl (1R,2S)-1-(2-cyanoethyl)-2-hydroxycyclohexane-1-carboxylate
CID 10922189
2-ethoxycarbonyl-1-prop-2-enoyloxycyclohexane-1-carboxylic acid
CID 150323140
cis-ethyl (1R,2R)-2-hydroxy-1-prop-2-enylcyclohexane-1-carboxylate
CID 101032729
2-(2-ethoxycarbonyl-1-ethylcyclohexyl)acetic acid
CID 19964200
ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
CID 141101003
ethyl 1-butylcyclohexane-1-carboxylate
CID 22016316
ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255
dimethyl 1-(chloromethyl)cyclohexane-1,2-dicarboxylate
CID 13029056
ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 106874628
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755

Frequently Asked Questions

What is the IUPAC name of diethyl 1-propylcyclohexane-1,2-dicarboxylate?
The IUPAC name of diethyl 1-propylcyclohexane-1,2-dicarboxylate (CID 146562592) is diethyl 1-propylcyclohexane-1,2-dicarboxylate.
What is the SMILES notation for diethyl 1-propylcyclohexane-1,2-dicarboxylate?
The canonical SMILES for diethyl 1-propylcyclohexane-1,2-dicarboxylate is CCCC1(C(=O)OCC)CCCCC1C(=O)OCC.
What is the InChIKey of diethyl 1-propylcyclohexane-1,2-dicarboxylate?
The InChIKey is RLOUEVRYGQZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-10-15(14(17)19-6-3)11-8-7-9-12(15)13(16)18-5-2/h12H,4-11H2,1-3H3.
What are the key properties of diethyl 1-propylcyclohexane-1,2-dicarboxylate?
diethyl 1-propylcyclohexane-1,2-dicarboxylate has a molecular weight of 270.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-propylcyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 146562592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).