2-but-2-en-2-yloxybutane

C8H16O — CID 54492212

IUPAC2-but-2-en-2-yloxybutane
SMILESCC=C(C)OC(C)CC
InChIInChI=1S/C8H16O/c1-5-7(3)9-8(4)6-2/h5,8H,6H2,1-4H3
InChIKeyXWNLMYOVIVWWSV-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds3

About 2-but-2-en-2-yloxybutane

2-but-2-en-2-yloxybutane (PubChem CID 54492212) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-but-2-en-2-yloxybutane.

Molecular Properties

Compound Name2-but-2-en-2-yloxybutane
PubChem CID54492212
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-but-2-en-2-yloxybutane
SMILESCC=C(C)OC(C)CC
InChIInChI=1S/C8H16O/c1-5-7(3)9-8(4)6-2/h5,8H,6H2,1-4H3
InChIKeyXWNLMYOVIVWWSV-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.73
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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Related Compounds

Ethyl 1-methylpropenyl ether
CID 12664944
(E)-3-propan-2-yloxypent-2-ene
CID 6081250
3-Propan-2-yloxypent-2-ene
CID 4366131
(E)-2-ethoxybut-2-ene
CID 10866267
1-[(E)-but-2-en-2-yl]oxybutane
CID 14617784
(Z)-3-propan-2-yloxypent-2-ene
CID 15128847
1-[(Z)-but-2-en-2-yl]oxybutane
CID 18643583
(Z)-2-propoxybut-2-ene
CID 18643584
(E)-2-propan-2-yloxybut-2-ene
CID 22498070
(E)-2-propoxybut-2-ene
CID 22498083
(E)-2-[(E)-but-2-en-2-yl]oxybut-2-ene
CID 22995033
(Z)-2-propan-2-yloxybut-2-ene
CID 23550327

Frequently Asked Questions

What is the IUPAC name of 2-but-2-en-2-yloxybutane?
The IUPAC name of 2-but-2-en-2-yloxybutane (CID 54492212) is 2-but-2-en-2-yloxybutane.
What is the SMILES notation for 2-but-2-en-2-yloxybutane?
The canonical SMILES for 2-but-2-en-2-yloxybutane is CC=C(C)OC(C)CC.
What is the InChIKey of 2-but-2-en-2-yloxybutane?
The InChIKey is XWNLMYOVIVWWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-7(3)9-8(4)6-2/h5,8H,6H2,1-4H3.
What are the key properties of 2-but-2-en-2-yloxybutane?
2-but-2-en-2-yloxybutane has a molecular weight of 128.21 g/mol, XLogP of 2.73, 3 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-yloxybutane is sourced from PubChem (CID 54492212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).