(E)-2-pentylnon-2-enal

C14H26O — CID 6443445

IUPAC(E)-2-pentylnon-2-enal
SMILESCCCCCC/C=C(/C=O)CCCCC
InChIInChI=1S/C14H26O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12-13H,3-11H2,1-2H3/b14-12+
InChIKeyVIKQYIINCNAGJW-WYMLVPIESA-N
MW210.36 g/mol
LogP4.66
Rot. Bonds10

About (E)-2-pentylnon-2-enal

(E)-2-pentylnon-2-enal (PubChem CID 6443445) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (E)-2-pentylnon-2-enal.

Molecular Properties

Compound Name(E)-2-pentylnon-2-enal
PubChem CID6443445
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(E)-2-pentylnon-2-enal
SMILESCCCCCC/C=C(/C=O)CCCCC
InChIInChI=1S/C14H26O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12-13H,3-11H2,1-2H3/b14-12+
InChIKeyVIKQYIINCNAGJW-WYMLVPIESA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.66
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-pentylnon-2-enal?
The IUPAC name of (E)-2-pentylnon-2-enal (CID 6443445) is (E)-2-pentylnon-2-enal.
What is the SMILES notation for (E)-2-pentylnon-2-enal?
The canonical SMILES for (E)-2-pentylnon-2-enal is CCCCCC/C=C(/C=O)CCCCC.
What is the InChIKey of (E)-2-pentylnon-2-enal?
The InChIKey is VIKQYIINCNAGJW-WYMLVPIESA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12-13H,3-11H2,1-2H3/b14-12+.
What are the key properties of (E)-2-pentylnon-2-enal?
(E)-2-pentylnon-2-enal has a molecular weight of 210.36 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-pentylnon-2-enal is sourced from PubChem (CID 6443445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).