1,2-diethylcyclobutane-1,2-dicarboxylate

C10H14O4-2 — CID 22298452

IUPAC1,2-diethylcyclobutane-1,2-dicarboxylate
SMILESCCC1(C(=O)[O-])CCC1(CC)C(=O)[O-]
InChIInChI=1S/C10H16O4/c1-3-9(7(11)12)5-6-10(9,4-2)8(13)14/h3-6H2,1-2H3,(H,11,12)(H,13,14)/p-2
InChIKeyPGPLFBWBFUHPDP-UHFFFAOYSA-L
MW198.22 g/mol
LogP-0.93
Rot. Bonds4

About 1,2-diethylcyclobutane-1,2-dicarboxylate

1,2-diethylcyclobutane-1,2-dicarboxylate (PubChem CID 22298452) has the molecular formula C10H14O4-2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1,2-diethylcyclobutane-1,2-dicarboxylate.

Molecular Properties

Compound Name1,2-diethylcyclobutane-1,2-dicarboxylate
PubChem CID22298452
Molecular FormulaC10H14O4-2
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1,2-diethylcyclobutane-1,2-dicarboxylate
SMILESCCC1(C(=O)[O-])CCC1(CC)C(=O)[O-]
InChIInChI=1S/C10H16O4/c1-3-9(7(11)12)5-6-10(9,4-2)8(13)14/h3-6H2,1-2H3,(H,11,12)(H,13,14)/p-2
InChIKeyPGPLFBWBFUHPDP-UHFFFAOYSA-L
XLogP-0.93
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-diethylcyclohexane-1,2-dicarboxylate
CID 58183367
dibutyltin(2+);tetrakis(6-ethyl-3-methyldispiro[3.0.35.24]decane-6-carboxylate);tin(2+)
CID 173331360
(2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate
CID 53471492
1-ethyl-2-oxocyclopentane-1-carboxylate
CID 23218203
1,2,2-triethylcyclohexane-1-carboxylic acid
CID 118982103
indium(1+);propanoate
CID 101213769
trisodium;propanoate
CID 86625665
europium(2+);propanoate
CID 88778777
propanoate;tin(4+)
CID 167712674
propanoate;hydrate
CID 19032208
propanoate;rubidium(1+)
CID 23716263
CID 57352970
CID 57352970

Frequently Asked Questions

What is the IUPAC name of 1,2-diethylcyclobutane-1,2-dicarboxylate?
The IUPAC name of 1,2-diethylcyclobutane-1,2-dicarboxylate (CID 22298452) is 1,2-diethylcyclobutane-1,2-dicarboxylate.
What is the SMILES notation for 1,2-diethylcyclobutane-1,2-dicarboxylate?
The canonical SMILES for 1,2-diethylcyclobutane-1,2-dicarboxylate is CCC1(C(=O)[O-])CCC1(CC)C(=O)[O-].
What is the InChIKey of 1,2-diethylcyclobutane-1,2-dicarboxylate?
The InChIKey is PGPLFBWBFUHPDP-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16O4/c1-3-9(7(11)12)5-6-10(9,4-2)8(13)14/h3-6H2,1-2H3,(H,11,12)(H,13,14)/p-2.
What are the key properties of 1,2-diethylcyclobutane-1,2-dicarboxylate?
1,2-diethylcyclobutane-1,2-dicarboxylate has a molecular weight of 198.22 g/mol, XLogP of -0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylcyclobutane-1,2-dicarboxylate is sourced from PubChem (CID 22298452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).