nona-3,4-diene

C9H16 — CID 549075

IUPACnona-3,4-diene
SMILESCCC=C=CCCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h5,9H,3-4,6,8H2,1-2H3
InChIKeyCHGXUMHYPKPHMB-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.30
Rot. Bonds4

About nona-3,4-diene

nona-3,4-diene (PubChem CID 549075) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is nona-3,4-diene.

Molecular Properties

Compound Namenona-3,4-diene
PubChem CID549075
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Namenona-3,4-diene
SMILESCCC=C=CCCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h5,9H,3-4,6,8H2,1-2H3
InChIKeyCHGXUMHYPKPHMB-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nona-3,4-diene?
The IUPAC name of nona-3,4-diene (CID 549075) is nona-3,4-diene.
What is the SMILES notation for nona-3,4-diene?
The canonical SMILES for nona-3,4-diene is CCC=C=CCCCC.
What is the InChIKey of nona-3,4-diene?
The InChIKey is CHGXUMHYPKPHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h5,9H,3-4,6,8H2,1-2H3.
What are the key properties of nona-3,4-diene?
nona-3,4-diene has a molecular weight of 124.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nona-3,4-diene is sourced from PubChem (CID 549075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).