nona-2,4-diene

C9H16 — CID 521755

IUPACnona-2,4-diene
SMILESCC=CC=CCCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyHKEBYUNPANBGPL-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.31
Rot. Bonds4

About nona-2,4-diene

nona-2,4-diene (PubChem CID 521755) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is nona-2,4-diene.

Molecular Properties

Compound Namenona-2,4-diene
PubChem CID521755
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Namenona-2,4-diene
SMILESCC=CC=CCCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyHKEBYUNPANBGPL-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Farnesene
CID 5281517
2-Octene
CID 5364448
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
trans-5-Decene
CID 637820
2,6-Dimethylocta-2,4,6-triene
CID 12658
1,3,5-Undecatriene
CID 61832
(3E,5E)-1,3,5-Undecatriene
CID 5367412

Frequently Asked Questions

What is the IUPAC name of nona-2,4-diene?
The IUPAC name of nona-2,4-diene (CID 521755) is nona-2,4-diene.
What is the SMILES notation for nona-2,4-diene?
The canonical SMILES for nona-2,4-diene is CC=CC=CCCCC.
What is the InChIKey of nona-2,4-diene?
The InChIKey is HKEBYUNPANBGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7,9H,4,6,8H2,1-2H3.
What are the key properties of nona-2,4-diene?
nona-2,4-diene has a molecular weight of 124.23 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,4-diene is sourced from PubChem (CID 521755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).