deca-1,9-diene

C10H18 — CID 15439

IUPACdeca-1,9-diene
SMILESC=CCCCCCCC=C
InChIInChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2
InChIKeyNLDGJRWPPOSWLC-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds7

About deca-1,9-diene

deca-1,9-diene (PubChem CID 15439) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is deca-1,9-diene.

Molecular Properties

Compound Namedeca-1,9-diene
PubChem CID15439
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namedeca-1,9-diene
SMILESC=CCCCCCCC=C
InChIInChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2
InChIKeyNLDGJRWPPOSWLC-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deca-1,9-diene?
The IUPAC name of deca-1,9-diene (CID 15439) is deca-1,9-diene.
What is the SMILES notation for deca-1,9-diene?
The canonical SMILES for deca-1,9-diene is C=CCCCCCCC=C.
What is the InChIKey of deca-1,9-diene?
The InChIKey is NLDGJRWPPOSWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2.
What are the key properties of deca-1,9-diene?
deca-1,9-diene has a molecular weight of 138.25 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,9-diene is sourced from PubChem (CID 15439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).