1,1-dideuteriododec-1-en-5,11-diyne

C12H16 — CID 134994869

IUPAC1,1-dideuteriododec-1-en-5,11-diyne
SMILES[2H]C([2H])=CCCC#CCCCCC#C
InChIInChI=1S/C12H16/c1-3-5-7-9-11-12-10-8-6-4-2/h1,4H,2,5-9,11H2/i2D2
InChIKeyGZQNPOAEXIVHIZ-CBTSVUPCSA-N
MW162.27 g/mol
LogP3.15
Rot. Bonds5

About 1,1-dideuteriododec-1-en-5,11-diyne

1,1-dideuteriododec-1-en-5,11-diyne (PubChem CID 134994869) has the molecular formula C12H16 and a molecular weight of 162.27 g/mol. Its IUPAC name is 1,1-dideuteriododec-1-en-5,11-diyne.

Molecular Properties

Compound Name1,1-dideuteriododec-1-en-5,11-diyne
PubChem CID134994869
Molecular FormulaC12H16
Molecular Weight162.27 g/mol
Exact Mass162.14
IUPAC Name1,1-dideuteriododec-1-en-5,11-diyne
SMILES[2H]C([2H])=CCCC#CCCCCC#C
InChIInChI=1S/C12H16/c1-3-5-7-9-11-12-10-8-6-4-2/h1,4H,2,5-9,11H2/i2D2
InChIKeyGZQNPOAEXIVHIZ-CBTSVUPCSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 53.15
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dideuteriododec-1-en-5,11-diyne?
The IUPAC name of 1,1-dideuteriododec-1-en-5,11-diyne (CID 134994869) is 1,1-dideuteriododec-1-en-5,11-diyne.
What is the SMILES notation for 1,1-dideuteriododec-1-en-5,11-diyne?
The canonical SMILES for 1,1-dideuteriododec-1-en-5,11-diyne is [2H]C([2H])=CCCC#CCCCCC#C.
What is the InChIKey of 1,1-dideuteriododec-1-en-5,11-diyne?
The InChIKey is GZQNPOAEXIVHIZ-CBTSVUPCSA-N. The full InChI is InChI=1S/C12H16/c1-3-5-7-9-11-12-10-8-6-4-2/h1,4H,2,5-9,11H2/i2D2.
What are the key properties of 1,1-dideuteriododec-1-en-5,11-diyne?
1,1-dideuteriododec-1-en-5,11-diyne has a molecular weight of 162.27 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuteriododec-1-en-5,11-diyne is sourced from PubChem (CID 134994869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).