nona-1,2-diene

C9H16 — CID 519948

IUPACnona-1,2-diene
SMILESC=C=CCCCCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h5H,1,4,6-9H2,2H3
InChIKeyBBECVROIQDCRKP-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.30
Rot. Bonds5

About nona-1,2-diene

nona-1,2-diene (PubChem CID 519948) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is nona-1,2-diene.

Molecular Properties

Compound Namenona-1,2-diene
PubChem CID519948
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Namenona-1,2-diene
SMILESC=C=CCCCCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h5H,1,4,6-9H2,2H3
InChIKeyBBECVROIQDCRKP-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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-1,2-diene?
The IUPAC name of nona-1,2-diene (CID 519948) is nona-1,2-diene.
What is the SMILES notation for nona-1,2-diene?
The canonical SMILES for nona-1,2-diene is C=C=CCCCCCC.
What is the InChIKey of nona-1,2-diene?
The InChIKey is BBECVROIQDCRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h5H,1,4,6-9H2,2H3.
What are the key properties of nona-1,2-diene?
nona-1,2-diene has a molecular weight of 124.23 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nona-1,2-diene is sourced from PubChem (CID 519948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).