4-O-cyclobutyl 1-O-ethyl butanedioate

C10H16O4 — CID 91702391

IUPAC4-O-cyclobutyl 1-O-ethyl butanedioate
SMILESCCOC(=O)CCC(=O)OC1CCC1
InChIInChI=1S/C10H16O4/c1-2-13-9(11)6-7-10(12)14-8-4-3-5-8/h8H,2-7H2,1H3
InChIKeyYYRILOVFNILEPZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.43
Rot. Bonds5

About 4-O-cyclobutyl 1-O-ethyl butanedioate

4-O-cyclobutyl 1-O-ethyl butanedioate (PubChem CID 91702391) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-O-cyclobutyl 1-O-ethyl butanedioate.

Molecular Properties

Compound Name4-O-cyclobutyl 1-O-ethyl butanedioate
PubChem CID91702391
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-O-cyclobutyl 1-O-ethyl butanedioate
SMILESCCOC(=O)CCC(=O)OC1CCC1
InChIInChI=1S/C10H16O4/c1-2-13-9(11)6-7-10(12)14-8-4-3-5-8/h8H,2-7H2,1H3
InChIKeyYYRILOVFNILEPZ-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl pentadecanoate
CID 46229794
4-O-cycloheptyl 1-O-octadecyl butanedioate
CID 91710592
copper;cyclohexyl butanoate
CID 67654151
5-O-(3,4-dimethylcyclohexyl) 1-O-ethyl pentanedioate
CID 91718107
cyclobutyl 4-bromobutanoate
CID 591081
strontium;cyclohexyl butanoate;hydride
CID 173148532
magnesium;cyclohexyl butanoate;hydride
CID 174620917
potassium;cyclohexyl butanoate;hydride
CID 174359508
ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate
CID 63282257
cyclopropyl decanoate
CID 154321154
cycloheptyl 6-ethoxyhexanoate
CID 134561724
dicyclohexyl pentanedioate
CID 15593941

Frequently Asked Questions

What is the IUPAC name of 4-O-cyclobutyl 1-O-ethyl butanedioate?
The IUPAC name of 4-O-cyclobutyl 1-O-ethyl butanedioate (CID 91702391) is 4-O-cyclobutyl 1-O-ethyl butanedioate.
What is the SMILES notation for 4-O-cyclobutyl 1-O-ethyl butanedioate?
The canonical SMILES for 4-O-cyclobutyl 1-O-ethyl butanedioate is CCOC(=O)CCC(=O)OC1CCC1.
What is the InChIKey of 4-O-cyclobutyl 1-O-ethyl butanedioate?
The InChIKey is YYRILOVFNILEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-13-9(11)6-7-10(12)14-8-4-3-5-8/h8H,2-7H2,1H3.
What are the key properties of 4-O-cyclobutyl 1-O-ethyl butanedioate?
4-O-cyclobutyl 1-O-ethyl butanedioate has a molecular weight of 200.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-cyclobutyl 1-O-ethyl butanedioate is sourced from PubChem (CID 91702391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).