dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate

C17H28O4 — CID 70011659

IUPACdipentyl 2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=CC1CC1(C(=O)OCCCCC)C(=O)OCCCCC
InChIInChI=1S/C17H28O4/c1-4-7-9-11-20-15(18)17(13-14(17)6-3)16(19)21-12-10-8-5-2/h6,14H,3-5,7-13H2,1-2H3
InChIKeyJDEDHJQUZWQSNI-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.65
Rot. Bonds11

About dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate

dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate (PubChem CID 70011659) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedipentyl 2-ethenylcyclopropane-1,1-dicarboxylate
PubChem CID70011659
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Namedipentyl 2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=CC1CC1(C(=O)OCCCCC)C(=O)OCCCCC
InChIInChI=1S/C17H28O4/c1-4-7-9-11-20-15(18)17(13-14(17)6-3)16(19)21-12-10-8-5-2/h6,14H,3-5,7-13H2,1-2H3
InChIKeyJDEDHJQUZWQSNI-UHFFFAOYSA-N
XLogP3.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate?
The IUPAC name of dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate (CID 70011659) is dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate is C=CC1CC1(C(=O)OCCCCC)C(=O)OCCCCC.
What is the InChIKey of dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate?
The InChIKey is JDEDHJQUZWQSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-4-7-9-11-20-15(18)17(13-14(17)6-3)16(19)21-12-10-8-5-2/h6,14H,3-5,7-13H2,1-2H3.
What are the key properties of dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate?
dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate has a molecular weight of 296.41 g/mol, XLogP of 3.65, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 70011659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).