(3E)-nona-1,3-diene

C9H16 — CID 5352755

IUPAC(3E)-nona-1,3-diene
SMILESC=C/C=C/CCCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7H,1,4,6,8-9H2,2H3/b7-5+
InChIKeyCLNYHERYALISIR-FNORWQNLSA-N
MW124.23 g/mol
LogP3.31
Rot. Bonds5

About (3E)-nona-1,3-diene

(3E)-nona-1,3-diene (PubChem CID 5352755) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (3E)-nona-1,3-diene.

Molecular Properties

Compound Name(3E)-nona-1,3-diene
PubChem CID5352755
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(3E)-nona-1,3-diene
SMILESC=C/C=C/CCCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7H,1,4,6,8-9H2,2H3/b7-5+
InChIKeyCLNYHERYALISIR-FNORWQNLSA-N
XLogP3.31
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 ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of (3E)-nona-1,3-diene?
The IUPAC name of (3E)-nona-1,3-diene (CID 5352755) is (3E)-nona-1,3-diene.
What is the SMILES notation for (3E)-nona-1,3-diene?
The canonical SMILES for (3E)-nona-1,3-diene is C=C/C=C/CCCCC.
What is the InChIKey of (3E)-nona-1,3-diene?
The InChIKey is CLNYHERYALISIR-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7H,1,4,6,8-9H2,2H3/b7-5+.
What are the key properties of (3E)-nona-1,3-diene?
(3E)-nona-1,3-diene has a molecular weight of 124.23 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-nona-1,3-diene is sourced from PubChem (CID 5352755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).