didecyl (Z)-but-2-enedioate

C24H44O4 — CID 5354345

IUPACdidecyl (Z)-but-2-enedioate
SMILESCCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCC
InChIInChI=1S/C24H44O4/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/h19-20H,3-18,21-22H2,1-2H3/b20-19-
InChIKeyBVVRPLNLVUMGSL-VXPUYCOJSA-N
MW396.61 g/mol
LogP6.91
Rot. Bonds20

About didecyl (Z)-but-2-enedioate

didecyl (Z)-but-2-enedioate (PubChem CID 5354345) has the molecular formula C24H44O4 and a molecular weight of 396.61 g/mol. Its IUPAC name is didecyl (Z)-but-2-enedioate.

Molecular Properties

Compound Namedidecyl (Z)-but-2-enedioate
PubChem CID5354345
Molecular FormulaC24H44O4
Molecular Weight396.61 g/mol
Exact Mass396.32
IUPAC Namedidecyl (Z)-but-2-enedioate
SMILESCCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCC
InChIInChI=1S/C24H44O4/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/h19-20H,3-18,21-22H2,1-2H3/b20-19-
InChIKeyBVVRPLNLVUMGSL-VXPUYCOJSA-N
XLogP6.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.61
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of didecyl (Z)-but-2-enedioate?
The IUPAC name of didecyl (Z)-but-2-enedioate (CID 5354345) is didecyl (Z)-but-2-enedioate.
What is the SMILES notation for didecyl (Z)-but-2-enedioate?
The canonical SMILES for didecyl (Z)-but-2-enedioate is CCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCC.
What is the InChIKey of didecyl (Z)-but-2-enedioate?
The InChIKey is BVVRPLNLVUMGSL-VXPUYCOJSA-N. The full InChI is InChI=1S/C24H44O4/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/h19-20H,3-18,21-22H2,1-2H3/b20-19-.
What are the key properties of didecyl (Z)-but-2-enedioate?
didecyl (Z)-but-2-enedioate has a molecular weight of 396.61 g/mol, XLogP of 6.91, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl (Z)-but-2-enedioate is sourced from PubChem (CID 5354345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).