(Z)-2-decylbut-2-enedioic acid

C14H24O4 — CID 18386424

IUPAC(Z)-2-decylbut-2-enedioic acid
SMILESCCCCCCCCCC/C(=C/C(=O)O)C(=O)O
InChIInChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h11H,2-10H2,1H3,(H,15,16)(H,17,18)/b12-11-
InChIKeyUHWZHMJNTNPTGP-QXMHVHEDSA-N
MW256.34 g/mol
LogP3.61
Rot. Bonds11

About (Z)-2-decylbut-2-enedioic acid

(Z)-2-decylbut-2-enedioic acid (PubChem CID 18386424) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (Z)-2-decylbut-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-decylbut-2-enedioic acid
PubChem CID18386424
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(Z)-2-decylbut-2-enedioic acid
SMILESCCCCCCCCCC/C(=C/C(=O)O)C(=O)O
InChIInChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h11H,2-10H2,1H3,(H,15,16)(H,17,18)/b12-11-
InChIKeyUHWZHMJNTNPTGP-QXMHVHEDSA-N
XLogP3.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

sodium;(Z)-2-hexadecylbut-2-enedioic acid;hydride
CID 173462321
sodium;ethanol;hydride;(E)-2-octadecylbut-2-enedioic acid
CID 174786608
CID 173220131
CID 173220131
sodium;hydride;(E)-2-octadecylbut-2-enedioic acid;sulfuric acid
CID 174945087
(Z)-2-butylbut-2-enedioic acid;hydrate
CID 174840725
(E)-3-acetyltridec-2-enoic acid
CID 87707693
(Z)-3-sulfanylcarbonylpentadec-2-enoic acid
CID 141134587
(2Z)-2-ethylideneicosanoic acid
CID 130276561
(Z)-3-(dimethylcarbamoyl)non-2-enoic acid
CID 139703597
(E)-3-heptylundec-2-enoic acid
CID 176810825
(2Z)-2-(hydroxymethylidene)heptanoic acid
CID 23213326
(E)-2-octadecanoylbut-2-enedioic acid
CID 87703911

Frequently Asked Questions

What is the IUPAC name of (Z)-2-decylbut-2-enedioic acid?
The IUPAC name of (Z)-2-decylbut-2-enedioic acid (CID 18386424) is (Z)-2-decylbut-2-enedioic acid.
What is the SMILES notation for (Z)-2-decylbut-2-enedioic acid?
The canonical SMILES for (Z)-2-decylbut-2-enedioic acid is CCCCCCCCCC/C(=C/C(=O)O)C(=O)O.
What is the InChIKey of (Z)-2-decylbut-2-enedioic acid?
The InChIKey is UHWZHMJNTNPTGP-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h11H,2-10H2,1H3,(H,15,16)(H,17,18)/b12-11-.
What are the key properties of (Z)-2-decylbut-2-enedioic acid?
(Z)-2-decylbut-2-enedioic acid has a molecular weight of 256.34 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-decylbut-2-enedioic acid is sourced from PubChem (CID 18386424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).