bis(pent-4-en-2-yl) butanedioate

C14H22O4 — CID 91695037

IUPACbis(pent-4-en-2-yl) butanedioate
SMILESC=CCC(C)OC(=O)CCC(=O)OC(C)CC=C
InChIInChI=1S/C14H22O4/c1-5-7-11(3)17-13(15)9-10-14(16)18-12(4)8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyXWGUCEBPLWAEGX-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.78
Rot. Bonds9

About bis(pent-4-en-2-yl) butanedioate

bis(pent-4-en-2-yl) butanedioate (PubChem CID 91695037) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is bis(pent-4-en-2-yl) butanedioate.

Molecular Properties

Compound Namebis(pent-4-en-2-yl) butanedioate
PubChem CID91695037
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Namebis(pent-4-en-2-yl) butanedioate
SMILESC=CCC(C)OC(=O)CCC(=O)OC(C)CC=C
InChIInChI=1S/C14H22O4/c1-5-7-11(3)17-13(15)9-10-14(16)18-12(4)8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyXWGUCEBPLWAEGX-UHFFFAOYSA-N
XLogP2.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Pentenoic acid isopropyl ester
CID 143866
Succinic acid, 1,1,1-trifluoroprop-2-yl hex-5-en-1-yl ester
CID 91732342
Succinic acid, 1,1,1-trifluoroprop-2-yl pent-4-en-2-yl ester
CID 91732368
Succinic acid, 1,1,1-trifluoroprop-2-yl hept-1,6-dien-4-yl ester
CID 91732378
Succinic acid, 2,2,3,3-tetrafluoropropyl pent-4-en-2-yl ester
CID 91734873
Succinic acid, 2,2,3,3-tetrafluoropropyl hept-1,6-dien-4-yl ester
CID 91734880
Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pent-4-en-2-yl ester
CID 91742195
Bis(pent-4-enyl) butanedioate
CID 243680
Succinic acid, di(but-3-en-1-yl) ester
CID 91692453
Succinic acid, di(cis-hex-3-enyl) ester
CID 91697823
Succinic acid, di(trans-hex-3-enyl) ester
CID 91697824
Succinic acid, hex-4-yn-3-yl but-3-en-1-yl ester
CID 91692550

Frequently Asked Questions

What is the IUPAC name of bis(pent-4-en-2-yl) butanedioate?
The IUPAC name of bis(pent-4-en-2-yl) butanedioate (CID 91695037) is bis(pent-4-en-2-yl) butanedioate.
What is the SMILES notation for bis(pent-4-en-2-yl) butanedioate?
The canonical SMILES for bis(pent-4-en-2-yl) butanedioate is C=CCC(C)OC(=O)CCC(=O)OC(C)CC=C.
What is the InChIKey of bis(pent-4-en-2-yl) butanedioate?
The InChIKey is XWGUCEBPLWAEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-5-7-11(3)17-13(15)9-10-14(16)18-12(4)8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of bis(pent-4-en-2-yl) butanedioate?
bis(pent-4-en-2-yl) butanedioate has a molecular weight of 254.33 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pent-4-en-2-yl) butanedioate is sourced from PubChem (CID 91695037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).