dipentyl 2-ethylidenepropanedioate

C15H26O4 — CID 151511130

IUPACdipentyl 2-ethylidenepropanedioate
SMILESCC=C(C(=O)OCCCCC)C(=O)OCCCCC
InChIInChI=1S/C15H26O4/c1-4-7-9-11-18-14(16)13(6-3)15(17)19-12-10-8-5-2/h6H,4-5,7-12H2,1-3H3
InChIKeyPSMLMUXFBXSPDA-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.40
Rot. Bonds10

About dipentyl 2-ethylidenepropanedioate

dipentyl 2-ethylidenepropanedioate (PubChem CID 151511130) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is dipentyl 2-ethylidenepropanedioate.

Molecular Properties

Compound Namedipentyl 2-ethylidenepropanedioate
PubChem CID151511130
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namedipentyl 2-ethylidenepropanedioate
SMILESCC=C(C(=O)OCCCCC)C(=O)OCCCCC
InChIInChI=1S/C15H26O4/c1-4-7-9-11-18-14(16)13(6-3)15(17)19-12-10-8-5-2/h6H,4-5,7-12H2,1-3H3
InChIKeyPSMLMUXFBXSPDA-UHFFFAOYSA-N
XLogP3.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.40
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

dibutyl 2,3-di(ethylidene)butanedioate
CID 89106710
ditridecyl oxalate
CID 18377796
octadecyl 2-hydroxybut-2-enoate
CID 141498457
decyl (E)-2-ethylbut-2-enoate
CID 164546681
hexyl 2-aminobut-2-enoate
CID 141223654
undecyl (E)-2-methylbut-2-enoate
CID 91701896
dodecyl 2-aminobut-2-enoate
CID 154120313
heptyl 2-ethylidenepentanoate
CID 175046581
octadecyl 2-ethylideneicosanoate
CID 174753193
dipentyl (Z)-2,3-dimethylbut-2-enedioate
CID 175563283
dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299
potassium 2-nonoxy-2-oxoacetate
CID 102118471

Frequently Asked Questions

What is the IUPAC name of dipentyl 2-ethylidenepropanedioate?
The IUPAC name of dipentyl 2-ethylidenepropanedioate (CID 151511130) is dipentyl 2-ethylidenepropanedioate.
What is the SMILES notation for dipentyl 2-ethylidenepropanedioate?
The canonical SMILES for dipentyl 2-ethylidenepropanedioate is CC=C(C(=O)OCCCCC)C(=O)OCCCCC.
What is the InChIKey of dipentyl 2-ethylidenepropanedioate?
The InChIKey is PSMLMUXFBXSPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-7-9-11-18-14(16)13(6-3)15(17)19-12-10-8-5-2/h6H,4-5,7-12H2,1-3H3.
What are the key properties of dipentyl 2-ethylidenepropanedioate?
dipentyl 2-ethylidenepropanedioate has a molecular weight of 270.37 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl 2-ethylidenepropanedioate is sourced from PubChem (CID 151511130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).