bis(dec-9-enyl) (Z)-but-2-enedioate

C24H40O4 — CID 86753272

IUPACbis(dec-9-enyl) (Z)-but-2-enedioate
SMILESC=CCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCC=C
InChIInChI=1S/C24H40O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h3-4,19-20H,1-2,5-18,21-22H2/b20-19-
InChIKeyGDDOFRJINCGUSU-VXPUYCOJSA-N
MW392.58 g/mol
LogP6.46
Rot. Bonds20

About bis(dec-9-enyl) (Z)-but-2-enedioate

bis(dec-9-enyl) (Z)-but-2-enedioate (PubChem CID 86753272) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is bis(dec-9-enyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(dec-9-enyl) (Z)-but-2-enedioate
PubChem CID86753272
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Namebis(dec-9-enyl) (Z)-but-2-enedioate
SMILESC=CCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCC=C
InChIInChI=1S/C24H40O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h3-4,19-20H,1-2,5-18,21-22H2/b20-19-
InChIKeyGDDOFRJINCGUSU-VXPUYCOJSA-N
XLogP6.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis(dec-9-enyl) (Z)-but-2-enedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-oxo-4-pent-4-enoxybut-2-enoic acid
CID 141049132
pentadec-14-enyl acetate
CID 87443745
nonadec-18-enyl acetate
CID 87443633
hexadec-15-enyl carbonochloridate
CID 139984771
1-O-decyl 4-O-prop-2-enyl (E)-but-2-enedioate
CID 91698054
hex-5-enyl acetate
CID 537536
oct-7-enyl 2-methylpropanoate
CID 87633860
diheptyl but-2-enedioate;ethene
CID 173308008
[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
CID 101145209
4-oxo-4-(4-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 73413412
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232

Frequently Asked Questions

What is the IUPAC name of bis(dec-9-enyl) (Z)-but-2-enedioate?
The IUPAC name of bis(dec-9-enyl) (Z)-but-2-enedioate (CID 86753272) is bis(dec-9-enyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(dec-9-enyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(dec-9-enyl) (Z)-but-2-enedioate is C=CCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCC=C.
What is the InChIKey of bis(dec-9-enyl) (Z)-but-2-enedioate?
The InChIKey is GDDOFRJINCGUSU-VXPUYCOJSA-N. The full InChI is InChI=1S/C24H40O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h3-4,19-20H,1-2,5-18,21-22H2/b20-19-.
What are the key properties of bis(dec-9-enyl) (Z)-but-2-enedioate?
bis(dec-9-enyl) (Z)-but-2-enedioate has a molecular weight of 392.58 g/mol, XLogP of 6.46, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dec-9-enyl) (Z)-but-2-enedioate is sourced from PubChem (CID 86753272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).