3,4-diethylhex-3-en-1,5-diyne

C10H12 — CID 71403157

IUPAC3,4-diethylhex-3-en-1,5-diyne
SMILESC#CC(CC)=C(C#C)CC
InChIInChI=1S/C10H12/c1-5-9(6-2)10(7-3)8-4/h1,3H,6,8H2,2,4H3
InChIKeyQYAXTXFHTKUMSS-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.37
Rot. Bonds2

About 3,4-diethylhex-3-en-1,5-diyne

3,4-diethylhex-3-en-1,5-diyne (PubChem CID 71403157) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 3,4-diethylhex-3-en-1,5-diyne.

Molecular Properties

Compound Name3,4-diethylhex-3-en-1,5-diyne
PubChem CID71403157
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name3,4-diethylhex-3-en-1,5-diyne
SMILESC#CC(CC)=C(C#C)CC
InChIInChI=1S/C10H12/c1-5-9(6-2)10(7-3)8-4/h1,3H,6,8H2,2,4H3
InChIKeyQYAXTXFHTKUMSS-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethylhex-3-en-1,5-diyne?
The IUPAC name of 3,4-diethylhex-3-en-1,5-diyne (CID 71403157) is 3,4-diethylhex-3-en-1,5-diyne.
What is the SMILES notation for 3,4-diethylhex-3-en-1,5-diyne?
The canonical SMILES for 3,4-diethylhex-3-en-1,5-diyne is C#CC(CC)=C(C#C)CC.
What is the InChIKey of 3,4-diethylhex-3-en-1,5-diyne?
The InChIKey is QYAXTXFHTKUMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-5-9(6-2)10(7-3)8-4/h1,3H,6,8H2,2,4H3.
What are the key properties of 3,4-diethylhex-3-en-1,5-diyne?
3,4-diethylhex-3-en-1,5-diyne has a molecular weight of 132.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylhex-3-en-1,5-diyne is sourced from PubChem (CID 71403157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).