(Z)-hept-5-enal

C7H12O — CID 12625719

IUPAC(Z)-hept-5-enal
SMILESC/C=C\CCCC=O
InChIInChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,7H,4-6H2,1H3/b3-2-
InChIKeyUDOAKURRCZMWOJ-IHWYPQMZSA-N
MW112.17 g/mol
LogP1.93
Rot. Bonds4

About (Z)-hept-5-enal

(Z)-hept-5-enal (PubChem CID 12625719) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (Z)-hept-5-enal.

Molecular Properties

Compound Name(Z)-hept-5-enal
PubChem CID12625719
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(Z)-hept-5-enal
SMILESC/C=C\CCCC=O
InChIInChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,7H,4-6H2,1H3/b3-2-
InChIKeyUDOAKURRCZMWOJ-IHWYPQMZSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-hept-5-enal?
The IUPAC name of (Z)-hept-5-enal (CID 12625719) is (Z)-hept-5-enal.
What is the SMILES notation for (Z)-hept-5-enal?
The canonical SMILES for (Z)-hept-5-enal is C/C=C\CCCC=O.
What is the InChIKey of (Z)-hept-5-enal?
The InChIKey is UDOAKURRCZMWOJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,7H,4-6H2,1H3/b3-2-.
What are the key properties of (Z)-hept-5-enal?
(Z)-hept-5-enal has a molecular weight of 112.17 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hept-5-enal is sourced from PubChem (CID 12625719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).