dodeca-1,2-diene

C12H22 — CID 13075083

IUPACdodeca-1,2-diene
SMILESC=C=CCCCCCCCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h5H,1,4,6-12H2,2H3
InChIKeyRNJZKHYIIKKDSR-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.47
Rot. Bonds8

About dodeca-1,2-diene

dodeca-1,2-diene (PubChem CID 13075083) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is dodeca-1,2-diene.

Molecular Properties

Compound Namedodeca-1,2-diene
PubChem CID13075083
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Namedodeca-1,2-diene
SMILESC=C=CCCCCCCCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h5H,1,4,6-12H2,2H3
InChIKeyRNJZKHYIIKKDSR-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.47
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 dodeca-1,2-diene?
The IUPAC name of dodeca-1,2-diene (CID 13075083) is dodeca-1,2-diene.
What is the SMILES notation for dodeca-1,2-diene?
The canonical SMILES for dodeca-1,2-diene is C=C=CCCCCCCCCC.
What is the InChIKey of dodeca-1,2-diene?
The InChIKey is RNJZKHYIIKKDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h5H,1,4,6-12H2,2H3.
What are the key properties of dodeca-1,2-diene?
dodeca-1,2-diene has a molecular weight of 166.31 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-1,2-diene is sourced from PubChem (CID 13075083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).