dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate

C14H22O4 — CID 66858398

IUPACdipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate
SMILESCCCOC(=O)C1=CCC(C)(C(=O)OCCC)C1
InChIInChI=1S/C14H22O4/c1-4-8-17-12(15)11-6-7-14(3,10-11)13(16)18-9-5-2/h6H,4-5,7-10H2,1-3H3
InChIKeyADQKQDFMTJPONT-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.62
Rot. Bonds6

About dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate

dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate (PubChem CID 66858398) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate.

Molecular Properties

Compound Namedipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate
PubChem CID66858398
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Namedipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate
SMILESCCCOC(=O)C1=CCC(C)(C(=O)OCCC)C1
InChIInChI=1S/C14H22O4/c1-4-8-17-12(15)11-6-7-14(3,10-11)13(16)18-9-5-2/h6H,4-5,7-10H2,1-3H3
InChIKeyADQKQDFMTJPONT-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
CID 158121003
propyl 2H-oxete-3-carboxylate
CID 54467668
[(1S)-3-ethoxycarbonyl-1-methoxycarbonylcyclopent-3-en-1-yl]azanium chloride
CID 102213166
propyl 3-oxocyclopentene-1-carboxylate
CID 102436268
propyl 6,6-dimethylcyclohexa-1,4-diene-1-carboxylate
CID 172774130
dipropyl cyclohepta-1,3,6-triene-1,2-dicarboxylate
CID 66809374
propyl 3-methylpyrrolidine-3-carboxylate
CID 63145112
propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate
CID 139428618
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
butyl 3-methylazetidine-3-carboxylate
CID 174909685
ethyl 4-methyl-4-pentylcyclohexene-1-carboxylate
CID 70882301
propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride
CID 67461618

Frequently Asked Questions

What is the IUPAC name of dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate?
The IUPAC name of dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate (CID 66858398) is dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate.
What is the SMILES notation for dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate?
The canonical SMILES for dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate is CCCOC(=O)C1=CCC(C)(C(=O)OCCC)C1.
What is the InChIKey of dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate?
The InChIKey is ADQKQDFMTJPONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-8-17-12(15)11-6-7-14(3,10-11)13(16)18-9-5-2/h6H,4-5,7-10H2,1-3H3.
What are the key properties of dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate?
dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate has a molecular weight of 254.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate is sourced from PubChem (CID 66858398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).