2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne

C12H14O — CID 141075794

IUPAC2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne
SMILESCC#CC=C(C)OC(C)=CC#CC
InChIInChI=1S/C12H14O/c1-5-7-9-11(3)13-12(4)10-8-6-2/h9-10H,1-4H3
InChIKeyLKSNSSYPXHTPOV-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.86
Rot. Bonds2

About 2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne

2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne (PubChem CID 141075794) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne.

Molecular Properties

Compound Name2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne
PubChem CID141075794
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne
SMILESCC#CC=C(C)OC(C)=CC#CC
InChIInChI=1S/C12H14O/c1-5-7-9-11(3)13-12(4)10-8-6-2/h9-10H,1-4H3
InChIKeyLKSNSSYPXHTPOV-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne?
The IUPAC name of 2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne (CID 141075794) is 2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne.
What is the SMILES notation for 2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne?
The canonical SMILES for 2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne is CC#CC=C(C)OC(C)=CC#CC.
What is the InChIKey of 2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne?
The InChIKey is LKSNSSYPXHTPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-5-7-9-11(3)13-12(4)10-8-6-2/h9-10H,1-4H3.
What are the key properties of 2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne?
2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne has a molecular weight of 174.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-2-en-4-yn-2-yloxyhex-2-en-4-yne is sourced from PubChem (CID 141075794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).