2-but-2-en-2-yloxybut-2-ene

C8H14O — CID 57003398

IUPAC2-but-2-en-2-yloxybut-2-ene
SMILESCC=C(C)OC(C)=CC
InChIInChI=1S/C8H14O/c1-5-7(3)9-8(4)6-2/h5-6H,1-4H3
InChIKeyNYISWSPNAWMMJZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.85
Rot. Bonds2

About 2-but-2-en-2-yloxybut-2-ene

2-but-2-en-2-yloxybut-2-ene (PubChem CID 57003398) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-but-2-en-2-yloxybut-2-ene.

Molecular Properties

Compound Name2-but-2-en-2-yloxybut-2-ene
PubChem CID57003398
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-but-2-en-2-yloxybut-2-ene
SMILESCC=C(C)OC(C)=CC
InChIInChI=1S/C8H14O/c1-5-7(3)9-8(4)6-2/h5-6H,1-4H3
InChIKeyNYISWSPNAWMMJZ-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-en-2-yloxybut-2-ene?
The IUPAC name of 2-but-2-en-2-yloxybut-2-ene (CID 57003398) is 2-but-2-en-2-yloxybut-2-ene.
What is the SMILES notation for 2-but-2-en-2-yloxybut-2-ene?
The canonical SMILES for 2-but-2-en-2-yloxybut-2-ene is CC=C(C)OC(C)=CC.
What is the InChIKey of 2-but-2-en-2-yloxybut-2-ene?
The InChIKey is NYISWSPNAWMMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-7(3)9-8(4)6-2/h5-6H,1-4H3.
What are the key properties of 2-but-2-en-2-yloxybut-2-ene?
2-but-2-en-2-yloxybut-2-ene has a molecular weight of 126.20 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-en-2-yloxybut-2-ene is sourced from PubChem (CID 57003398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).