dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate

C17H26O4 — CID 58350303

IUPACdipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate
SMILESC=CC1CC(C=C)C(C(=O)OCCC)C1C(=O)OCCC
InChIInChI=1S/C17H26O4/c1-5-9-20-16(18)14-12(7-3)11-13(8-4)15(14)17(19)21-10-6-2/h7-8,12-15H,3-6,9-11H2,1-2H3
InChIKeyBIEKQNOSZIYDES-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.13
Rot. Bonds8

About dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate

dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate (PubChem CID 58350303) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namedipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate
PubChem CID58350303
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Namedipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate
SMILESC=CC1CC(C=C)C(C(=O)OCCC)C1C(=O)OCCC
InChIInChI=1S/C17H26O4/c1-5-9-20-16(18)14-12(7-3)11-13(8-4)15(14)17(19)21-10-6-2/h7-8,12-15H,3-6,9-11H2,1-2H3
InChIKeyBIEKQNOSZIYDES-UHFFFAOYSA-N
XLogP3.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate?
The IUPAC name of dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate (CID 58350303) is dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate.
What is the SMILES notation for dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate?
The canonical SMILES for dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate is C=CC1CC(C=C)C(C(=O)OCCC)C1C(=O)OCCC.
What is the InChIKey of dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate?
The InChIKey is BIEKQNOSZIYDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-5-9-20-16(18)14-12(7-3)11-13(8-4)15(14)17(19)21-10-6-2/h7-8,12-15H,3-6,9-11H2,1-2H3.
What are the key properties of dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate?
dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate has a molecular weight of 294.39 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 58350303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).