dipropyl cyclohexene-1,2-dicarboxylate

C14H22O4 — CID 19980704

IUPACdipropyl cyclohexene-1,2-dicarboxylate
SMILESCCCOC(=O)C1=C(C(=O)OCCC)CCCC1
InChIInChI=1S/C14H22O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-10H2,1-2H3
InChIKeyURUSNJYYYUOFTI-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.76
Rot. Bonds6

About dipropyl cyclohexene-1,2-dicarboxylate

dipropyl cyclohexene-1,2-dicarboxylate (PubChem CID 19980704) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is dipropyl cyclohexene-1,2-dicarboxylate.

Molecular Properties

Compound Namedipropyl cyclohexene-1,2-dicarboxylate
PubChem CID19980704
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Namedipropyl cyclohexene-1,2-dicarboxylate
SMILESCCCOC(=O)C1=C(C(=O)OCCC)CCCC1
InChIInChI=1S/C14H22O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-10H2,1-2H3
InChIKeyURUSNJYYYUOFTI-UHFFFAOYSA-N
XLogP2.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dipropyl cyclohexene-1,2-dicarboxylate?
The IUPAC name of dipropyl cyclohexene-1,2-dicarboxylate (CID 19980704) is dipropyl cyclohexene-1,2-dicarboxylate.
What is the SMILES notation for dipropyl cyclohexene-1,2-dicarboxylate?
The canonical SMILES for dipropyl cyclohexene-1,2-dicarboxylate is CCCOC(=O)C1=C(C(=O)OCCC)CCCC1.
What is the InChIKey of dipropyl cyclohexene-1,2-dicarboxylate?
The InChIKey is URUSNJYYYUOFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-10H2,1-2H3.
What are the key properties of dipropyl cyclohexene-1,2-dicarboxylate?
dipropyl cyclohexene-1,2-dicarboxylate has a molecular weight of 254.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl cyclohexene-1,2-dicarboxylate is sourced from PubChem (CID 19980704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).