bis[(Z)-pent-2-enyl] butanedioate

C14H22O4 — CID 91698628

IUPACbis[(Z)-pent-2-enyl] butanedioate
SMILESCC/C=C\COC(=O)CCC(=O)OC/C=C\CC
InChIInChI=1S/C14H22O4/c1-3-5-7-11-17-13(15)9-10-14(16)18-12-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5-,8-6-
InChIKeyWWMHWBSNTZMUNX-SFECMWDFSA-N
MW254.33 g/mol
LogP2.79
Rot. Bonds9

About bis[(Z)-pent-2-enyl] butanedioate

bis[(Z)-pent-2-enyl] butanedioate (PubChem CID 91698628) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is bis[(Z)-pent-2-enyl] butanedioate.

Molecular Properties

Compound Namebis[(Z)-pent-2-enyl] butanedioate
PubChem CID91698628
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Namebis[(Z)-pent-2-enyl] butanedioate
SMILESCC/C=C\COC(=O)CCC(=O)OC/C=C\CC
InChIInChI=1S/C14H22O4/c1-3-5-7-11-17-13(15)9-10-14(16)18-12-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5-,8-6-
InChIKeyWWMHWBSNTZMUNX-SFECMWDFSA-N
XLogP2.79
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 ≤ 52.79
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

trans-2-HEXENYL BUTYRATE
CID 5352461
2-Hexenyl propionate, (2E)-
CID 5352463
2-Octen-1-yl butyrate, (2E)-
CID 5362591
Hex-2-enyl butyrate
CID 104485
triethyl (E)-prop-1-ene-1,2,3-tricarboxylate
CID 6504629
Aconitic acid, triallyl ester
CID 5354782
Triethyl 1-propene-1,2,3-tricarboxylate
CID 111067
Triethyl aconitate
CID 5462692
Succinic acid, di(neryl) ester
CID 57495010
2-Octenyl butyrate
CID 124355627
(Z)-2-Hexenyl propanoate
CID 5352468
(2Z)-2-Penten-1-yl butanoate
CID 5366233

Frequently Asked Questions

What is the IUPAC name of bis[(Z)-pent-2-enyl] butanedioate?
The IUPAC name of bis[(Z)-pent-2-enyl] butanedioate (CID 91698628) is bis[(Z)-pent-2-enyl] butanedioate.
What is the SMILES notation for bis[(Z)-pent-2-enyl] butanedioate?
The canonical SMILES for bis[(Z)-pent-2-enyl] butanedioate is CC/C=C\COC(=O)CCC(=O)OC/C=C\CC.
What is the InChIKey of bis[(Z)-pent-2-enyl] butanedioate?
The InChIKey is WWMHWBSNTZMUNX-SFECMWDFSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-5-7-11-17-13(15)9-10-14(16)18-12-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5-,8-6-.
What are the key properties of bis[(Z)-pent-2-enyl] butanedioate?
bis[(Z)-pent-2-enyl] butanedioate has a molecular weight of 254.33 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-pent-2-enyl] butanedioate is sourced from PubChem (CID 91698628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).