(E)-pent-2-enoic acid;pent-4-enoic acid

C10H16O4 — CID 118691539

IUPAC(E)-pent-2-enoic acid;pent-4-enoic acid
SMILESC=CCCC(=O)O.CC/C=C/C(=O)O
InChIInChI=1S/2C5H8O2/c2*1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7);2H,1,3-4H2,(H,6,7)/b4-3+;
InChIKeyKDOITDMDTYXATI-BJILWQEISA-N
MW200.23 g/mol
LogP2.07
Rot. Bonds5

About (E)-pent-2-enoic acid;pent-4-enoic acid

(E)-pent-2-enoic acid;pent-4-enoic acid (PubChem CID 118691539) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (E)-pent-2-enoic acid;pent-4-enoic acid.

Molecular Properties

Compound Name(E)-pent-2-enoic acid;pent-4-enoic acid
PubChem CID118691539
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(E)-pent-2-enoic acid;pent-4-enoic acid
SMILESC=CCCC(=O)O.CC/C=C/C(=O)O
InChIInChI=1S/2C5H8O2/c2*1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7);2H,1,3-4H2,(H,6,7)/b4-3+;
InChIKeyKDOITDMDTYXATI-BJILWQEISA-N
XLogP2.07
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-diene;hex-2-enedioic acid
CID 88804765
(E)-pent-2-enoic acid
CID 638122
pent-2-enoic acid;hydrochloride
CID 156883966
but-1-ene;(Z)-but-2-enedioic acid
CID 88615133
(Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid
CID 158275226
hept-4-enoic acid;hydrochloride
CID 143782457
(Z)-but-2-enedioic acid;hex-1-ene
CID 88803963
heptan-2-one;pent-4-enoic acid
CID 175716466
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072

Frequently Asked Questions

What is the IUPAC name of (E)-pent-2-enoic acid;pent-4-enoic acid?
The IUPAC name of (E)-pent-2-enoic acid;pent-4-enoic acid (CID 118691539) is (E)-pent-2-enoic acid;pent-4-enoic acid.
What is the SMILES notation for (E)-pent-2-enoic acid;pent-4-enoic acid?
The canonical SMILES for (E)-pent-2-enoic acid;pent-4-enoic acid is C=CCCC(=O)O.CC/C=C/C(=O)O.
What is the InChIKey of (E)-pent-2-enoic acid;pent-4-enoic acid?
The InChIKey is KDOITDMDTYXATI-BJILWQEISA-N. The full InChI is InChI=1S/2C5H8O2/c2*1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7);2H,1,3-4H2,(H,6,7)/b4-3+;.
What are the key properties of (E)-pent-2-enoic acid;pent-4-enoic acid?
(E)-pent-2-enoic acid;pent-4-enoic acid has a molecular weight of 200.23 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-2-enoic acid;pent-4-enoic acid is sourced from PubChem (CID 118691539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).