(Z)-2-pentylnon-2-enal

C14H26O — CID 5364551

IUPAC(Z)-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-OWBHPGMISA-N
MW210.36 g/mol
LogP4.66
Rot. Bonds10

About (Z)-2-pentylnon-2-enal

(Z)-2-pentylnon-2-enal (PubChem CID 5364551) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (Z)-2-pentylnon-2-enal.

Molecular Properties

Compound Name(Z)-2-pentylnon-2-enal
PubChem CID5364551
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(Z)-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-OWBHPGMISA-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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Related Compounds

Perillaldehyde
CID 16441
Perillaldehyde, (-)-
CID 2724159
2-Ethylidenehexanal
CID 5463946
7-Tetradecenal, (7Z)-
CID 5364468
Perillaldehyde, (+)-
CID 1548901
Phellandral
CID 89488
2-Butyl-2-octenal
CID 5362697
2-Methyl-2-octenal, (2E)-
CID 5362580
2-Ethyl-2-heptenal
CID 6435838
3,7-Dimethyl-2-methylene-6-octenal, (+-)-
CID 90776
1-Cyclohexene-1-carboxaldehyde
CID 5184540
6-Octenal, 7-methyl-3-methylene-
CID 108662

Frequently Asked Questions

What is the IUPAC name of (Z)-2-pentylnon-2-enal?
The IUPAC name of (Z)-2-pentylnon-2-enal (CID 5364551) is (Z)-2-pentylnon-2-enal.
What is the SMILES notation for (Z)-2-pentylnon-2-enal?
The canonical SMILES for (Z)-2-pentylnon-2-enal is CCCCCC/C=C(\C=O)CCCCC.
What is the InChIKey of (Z)-2-pentylnon-2-enal?
The InChIKey is VIKQYIINCNAGJW-OWBHPGMISA-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 (Z)-2-pentylnon-2-enal?
(Z)-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 (Z)-2-pentylnon-2-enal is sourced from PubChem (CID 5364551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).