(E)-4-decan-5-yloxy-4-oxobut-2-enoic acid

C14H24O4 — CID 22719389

IUPAC(E)-4-decan-5-yloxy-4-oxobut-2-enoic acid
SMILESCCCCCC(CCCC)OC(=O)/C=C/C(=O)O
InChIInChI=1S/C14H24O4/c1-3-5-7-9-12(8-6-4-2)18-14(17)11-10-13(15)16/h10-12H,3-9H2,1-2H3,(H,15,16)/b11-10+
InChIKeyAMXBMYBAGDGNDG-ZHACJKMWSA-N
MW256.34 g/mol
LogP3.31
Rot. Bonds10

About (E)-4-decan-5-yloxy-4-oxobut-2-enoic acid

(E)-4-decan-5-yloxy-4-oxobut-2-enoic acid (PubChem CID 22719389) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (E)-4-decan-5-yloxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-decan-5-yloxy-4-oxobut-2-enoic acid
PubChem CID22719389
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(E)-4-decan-5-yloxy-4-oxobut-2-enoic acid
SMILESCCCCCC(CCCC)OC(=O)/C=C/C(=O)O
InChIInChI=1S/C14H24O4/c1-3-5-7-9-12(8-6-4-2)18-14(17)11-10-13(15)16/h10-12H,3-9H2,1-2H3,(H,15,16)/b11-10+
InChIKeyAMXBMYBAGDGNDG-ZHACJKMWSA-N
XLogP3.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-4-oxo-4-pentadecan-6-yloxybut-2-enoic acid
CID 88546152
4-octadecan-9-yloxy-4-oxobut-2-enoic acid
CID 54294336
(Z)-4-icosan-9-yloxy-4-oxobut-2-enoic acid
CID 122673358
didodecan-5-yl (E)-but-2-enedioate
CID 87334763
(Z)-4-(2-methyltetradecan-5-yloxy)-4-oxobut-2-enoic acid
CID 87993964
12-(3-carboxyprop-2-enoyloxy)octadecanoic acid
CID 54027120
dioctan-4-yl (E)-but-2-enedioate
CID 91734309
(2Z,4Z)-6-octan-3-yloxy-6-oxohexa-2,4-dienoic acid
CID 174812128
1-O-nonyl 4-O-octan-4-yl (E)-but-2-enedioate
CID 91735998
1-O-heptyl 4-O-octan-4-yl (E)-but-2-enedioate
CID 91732442
(E)-4-oxo-4-(1,1,1,2,2-pentafluorooctan-4-yloxy)but-2-enoic acid
CID 150003529
tridecan-5-yl prop-2-enoate
CID 141073146

Frequently Asked Questions

What is the IUPAC name of (E)-4-decan-5-yloxy-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-decan-5-yloxy-4-oxobut-2-enoic acid (CID 22719389) is (E)-4-decan-5-yloxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-decan-5-yloxy-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-decan-5-yloxy-4-oxobut-2-enoic acid is CCCCCC(CCCC)OC(=O)/C=C/C(=O)O.
What is the InChIKey of (E)-4-decan-5-yloxy-4-oxobut-2-enoic acid?
The InChIKey is AMXBMYBAGDGNDG-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-5-7-9-12(8-6-4-2)18-14(17)11-10-13(15)16/h10-12H,3-9H2,1-2H3,(H,15,16)/b11-10+.
What are the key properties of (E)-4-decan-5-yloxy-4-oxobut-2-enoic acid?
(E)-4-decan-5-yloxy-4-oxobut-2-enoic acid has a molecular weight of 256.34 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-decan-5-yloxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 22719389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).