5-chloronona-1,4-diene

C9H15Cl — CID 74377467

IUPAC5-chloronona-1,4-diene
SMILESC=CCC=C(Cl)CCCC
InChIInChI=1S/C9H15Cl/c1-3-5-7-9(10)8-6-4-2/h3,7H,1,4-6,8H2,2H3
InChIKeyBUFATMVJHNOKBH-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.88
Rot. Bonds5

About 5-chloronona-1,4-diene

5-chloronona-1,4-diene (PubChem CID 74377467) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is 5-chloronona-1,4-diene.

Molecular Properties

Compound Name5-chloronona-1,4-diene
PubChem CID74377467
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name5-chloronona-1,4-diene
SMILESC=CCC=C(Cl)CCCC
InChIInChI=1S/C9H15Cl/c1-3-5-7-9(10)8-6-4-2/h3,7H,1,4-6,8H2,2H3
InChIKeyBUFATMVJHNOKBH-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloronona-1,4-diene?
The IUPAC name of 5-chloronona-1,4-diene (CID 74377467) is 5-chloronona-1,4-diene.
What is the SMILES notation for 5-chloronona-1,4-diene?
The canonical SMILES for 5-chloronona-1,4-diene is C=CCC=C(Cl)CCCC.
What is the InChIKey of 5-chloronona-1,4-diene?
The InChIKey is BUFATMVJHNOKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl/c1-3-5-7-9(10)8-6-4-2/h3,7H,1,4-6,8H2,2H3.
What are the key properties of 5-chloronona-1,4-diene?
5-chloronona-1,4-diene has a molecular weight of 158.67 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloronona-1,4-diene is sourced from PubChem (CID 74377467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).