2-hexylidenenonanal

C15H28O — CID 54074680

IUPAC2-hexylidenenonanal
SMILESCCCCCC=C(C=O)CCCCCCC
InChIInChI=1S/C15H28O/c1-3-5-7-9-11-13-15(14-16)12-10-8-6-4-2/h12,14H,3-11,13H2,1-2H3
InChIKeyMIVVBEHLSOHYDP-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.05
Rot. Bonds11

About 2-hexylidenenonanal

2-hexylidenenonanal (PubChem CID 54074680) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-hexylidenenonanal.

Molecular Properties

Compound Name2-hexylidenenonanal
PubChem CID54074680
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-hexylidenenonanal
SMILESCCCCCC=C(C=O)CCCCCCC
InChIInChI=1S/C15H28O/c1-3-5-7-9-11-13-15(14-16)12-10-8-6-4-2/h12,14H,3-11,13H2,1-2H3
InChIKeyMIVVBEHLSOHYDP-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.05
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

2-octadecyldocos-2-enal
CID 54072385
2-pentylideneoctanal
CID 57053473
2-octylundec-2-enal;pent-2-enal
CID 173412811
2-heptyldodec-2-enal;hex-2-enal
CID 88679178
2-(2-chloroethyl)tricos-2-enal
CID 175199289
8-hydroxy-2-(4-hydroxybutyl)oct-2-enal
CID 73110484
(Z)-2-decyl-3-deuteriotetradec-2-enal
CID 102241352
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octylundec-2-enoic acid
CID 87266721
2-formyldec-2-enoic acid
CID 175590598
2-nonadecylidenepropanedioic acid
CID 19832661
2-dodecylpentadec-2-enamide
CID 173002797

Frequently Asked Questions

What is the IUPAC name of 2-hexylidenenonanal?
The IUPAC name of 2-hexylidenenonanal (CID 54074680) is 2-hexylidenenonanal.
What is the SMILES notation for 2-hexylidenenonanal?
The canonical SMILES for 2-hexylidenenonanal is CCCCCC=C(C=O)CCCCCCC.
What is the InChIKey of 2-hexylidenenonanal?
The InChIKey is MIVVBEHLSOHYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-5-7-9-11-13-15(14-16)12-10-8-6-4-2/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 2-hexylidenenonanal?
2-hexylidenenonanal has a molecular weight of 224.39 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylidenenonanal is sourced from PubChem (CID 54074680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).