(Z)-4-cyclopentylbut-3-enal

C9H14O — CID 117268117

IUPAC(Z)-4-cyclopentylbut-3-enal
SMILESO=CC/C=C\C1CCCC1
InChIInChI=1S/C9H14O/c10-8-4-3-7-9-5-1-2-6-9/h3,7-9H,1-2,4-6H2/b7-3-
InChIKeyIBEWGDWMRUKYIV-CLTKARDFSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds3

About (Z)-4-cyclopentylbut-3-enal

(Z)-4-cyclopentylbut-3-enal (PubChem CID 117268117) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-4-cyclopentylbut-3-enal.

Molecular Properties

Compound Name(Z)-4-cyclopentylbut-3-enal
PubChem CID117268117
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(Z)-4-cyclopentylbut-3-enal
SMILESO=CC/C=C\C1CCCC1
InChIInChI=1S/C9H14O/c10-8-4-3-7-9-5-1-2-6-9/h3,7-9H,1-2,4-6H2/b7-3-
InChIKeyIBEWGDWMRUKYIV-CLTKARDFSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-cyclopentylbut-3-enal?
The IUPAC name of (Z)-4-cyclopentylbut-3-enal (CID 117268117) is (Z)-4-cyclopentylbut-3-enal.
What is the SMILES notation for (Z)-4-cyclopentylbut-3-enal?
The canonical SMILES for (Z)-4-cyclopentylbut-3-enal is O=CC/C=C\C1CCCC1.
What is the InChIKey of (Z)-4-cyclopentylbut-3-enal?
The InChIKey is IBEWGDWMRUKYIV-CLTKARDFSA-N. The full InChI is InChI=1S/C9H14O/c10-8-4-3-7-9-5-1-2-6-9/h3,7-9H,1-2,4-6H2/b7-3-.
What are the key properties of (Z)-4-cyclopentylbut-3-enal?
(Z)-4-cyclopentylbut-3-enal has a molecular weight of 138.21 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-cyclopentylbut-3-enal is sourced from PubChem (CID 117268117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).