but-2-enoic acid;tetracosane

C28H56O2 — CID 159276528

IUPACbut-2-enoic acid;tetracosane
SMILESCC=CC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H50.C4H6O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4(5)6/h3-24H2,1-2H3;2-3H,1H3,(H,5,6)
InChIKeyKYJIZMSGFXQXSW-UHFFFAOYSA-N
MW424.75 g/mol
LogP10.26
Rot. Bonds22

About but-2-enoic acid;tetracosane

but-2-enoic acid;tetracosane (PubChem CID 159276528) has the molecular formula C28H56O2 and a molecular weight of 424.75 g/mol. Its IUPAC name is but-2-enoic acid;tetracosane.

Molecular Properties

Compound Namebut-2-enoic acid;tetracosane
PubChem CID159276528
Molecular FormulaC28H56O2
Molecular Weight424.75 g/mol
Exact Mass424.43
IUPAC Namebut-2-enoic acid;tetracosane
SMILESCC=CC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H50.C4H6O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4(5)6/h3-24H2,1-2H3;2-3H,1H3,(H,5,6)
InChIKeyKYJIZMSGFXQXSW-UHFFFAOYSA-N
XLogP10.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.75
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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but-2-enoic acid;(Z)-hexadec-5-ene
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(E)-but-2-enoic acid
CID 637090
but-2-enoic acid;octane-1,8-diol
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(E)-but-2-enedioic acid;gold(1+);octadecane
CID 162691149
acetic acid;nonane
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acetic acid;decane
CID 172853582
(Z)-but-2-ene;(Z)-but-2-enoic acid
CID 158994925
(Z)-but-2-enoic acid;yttrium
CID 58782397
but-2-enoic acid;pentan-3-one
CID 173308572
but-2-enoic acid;pentan-2-one
CID 175320789
(Z)-but-2-enedioic acid;docosanoic acid
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Frequently Asked Questions

What is the IUPAC name of but-2-enoic acid;tetracosane?
The IUPAC name of but-2-enoic acid;tetracosane (CID 159276528) is but-2-enoic acid;tetracosane.
What is the SMILES notation for but-2-enoic acid;tetracosane?
The canonical SMILES for but-2-enoic acid;tetracosane is CC=CC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of but-2-enoic acid;tetracosane?
The InChIKey is KYJIZMSGFXQXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50.C4H6O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4(5)6/h3-24H2,1-2H3;2-3H,1H3,(H,5,6).
What are the key properties of but-2-enoic acid;tetracosane?
but-2-enoic acid;tetracosane has a molecular weight of 424.75 g/mol, XLogP of 10.26, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoic acid;tetracosane is sourced from PubChem (CID 159276528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).