(E)-hept-2-enedial

C7H10O2 — CID 5283323

IUPAC(E)-hept-2-enedial
SMILESO=C/C=C/CCCC=O
InChIInChI=1S/C7H10O2/c8-6-4-2-1-3-5-7-9/h2,4,6-7H,1,3,5H2/b4-2+
InChIKeyUINBCLLBJYJCNK-DUXPYHPUSA-N
MW126.15 g/mol
LogP1.11
Rot. Bonds5

About (E)-hept-2-enedial

(E)-hept-2-enedial (PubChem CID 5283323) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (E)-hept-2-enedial.

Molecular Properties

Compound Name(E)-hept-2-enedial
PubChem CID5283323
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(E)-hept-2-enedial
SMILESO=C/C=C/CCCC=O
InChIInChI=1S/C7H10O2/c8-6-4-2-1-3-5-7-9/h2,4,6-7H,1,3,5H2/b4-2+
InChIKeyUINBCLLBJYJCNK-DUXPYHPUSA-N
XLogP1.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodec-2-enedial
CID 54372755
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
triaconta-9,17,19-trienedial
CID 54176799
(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
CID 56643590
hydron;pentanedial
CID 87858118
pentanedial;silane
CID 173075190
pentanal;pent-2-enal
CID 159280720
pentadeca-2,7-dienal
CID 140791013
(E)-7-hydroxyhept-2-enal
CID 88503133
(Z)-hept-5-enal
CID 12625719
(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335

Frequently Asked Questions

What is the IUPAC name of (E)-hept-2-enedial?
The IUPAC name of (E)-hept-2-enedial (CID 5283323) is (E)-hept-2-enedial.
What is the SMILES notation for (E)-hept-2-enedial?
The canonical SMILES for (E)-hept-2-enedial is O=C/C=C/CCCC=O.
What is the InChIKey of (E)-hept-2-enedial?
The InChIKey is UINBCLLBJYJCNK-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H10O2/c8-6-4-2-1-3-5-7-9/h2,4,6-7H,1,3,5H2/b4-2+.
What are the key properties of (E)-hept-2-enedial?
(E)-hept-2-enedial has a molecular weight of 126.15 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hept-2-enedial is sourced from PubChem (CID 5283323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).