1-but-2-en-2-yloxy-2-methylbut-2-ene

C9H16O — CID 123735302

IUPAC1-but-2-en-2-yloxy-2-methylbut-2-ene
SMILESCC=C(C)COC(C)=CC
InChIInChI=1S/C9H16O/c1-5-8(3)7-10-9(4)6-2/h5-6H,7H2,1-4H3
InChIKeyQMUDFVODUQLEMY-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.89
Rot. Bonds3

About 1-but-2-en-2-yloxy-2-methylbut-2-ene

1-but-2-en-2-yloxy-2-methylbut-2-ene (PubChem CID 123735302) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-but-2-en-2-yloxy-2-methylbut-2-ene.

Molecular Properties

Compound Name1-but-2-en-2-yloxy-2-methylbut-2-ene
PubChem CID123735302
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-but-2-en-2-yloxy-2-methylbut-2-ene
SMILESCC=C(C)COC(C)=CC
InChIInChI=1S/C9H16O/c1-5-8(3)7-10-9(4)6-2/h5-6H,7H2,1-4H3
InChIKeyQMUDFVODUQLEMY-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dimethylallyl ether
CID 10920736
2-Butene, 1-butoxy-3-methyl-
CID 551194
1-[(E)-but-1-enoxy]-3-methylbut-2-ene
CID 10582873
(E)-1-ethoxy-3-methoxybut-2-ene
CID 143866442
3-Methyl-1-[(2-methylprop-2-en-1-yl)oxy]but-2-ene
CID 12851391
1,1-Dimethylpropyl 3-methyl-2-butenyl ether
CID 129658015
(E)-1-(2-methylprop-1-enoxy)but-2-ene
CID 134976135
(3E,5E)-3-fluoro-6-[(E)-2-methylbut-2-enoxy]hepta-1,3,5-triene
CID 145145049
(Z)-1-[(E)-but-2-en-2-yl]oxy-3-fluoro-2-methylbut-2-ene
CID 178822827
1-Butoxy-2-methyl-2-butene (Z)-
CID 5366206
1-Butoxy-2-methyl-2-butene (E)-
CID 5366207
3-methyl-1-[(E)-prop-1-enoxy]but-2-ene
CID 10510866

Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yloxy-2-methylbut-2-ene?
The IUPAC name of 1-but-2-en-2-yloxy-2-methylbut-2-ene (CID 123735302) is 1-but-2-en-2-yloxy-2-methylbut-2-ene.
What is the SMILES notation for 1-but-2-en-2-yloxy-2-methylbut-2-ene?
The canonical SMILES for 1-but-2-en-2-yloxy-2-methylbut-2-ene is CC=C(C)COC(C)=CC.
What is the InChIKey of 1-but-2-en-2-yloxy-2-methylbut-2-ene?
The InChIKey is QMUDFVODUQLEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-8(3)7-10-9(4)6-2/h5-6H,7H2,1-4H3.
What are the key properties of 1-but-2-en-2-yloxy-2-methylbut-2-ene?
1-but-2-en-2-yloxy-2-methylbut-2-ene has a molecular weight of 140.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yloxy-2-methylbut-2-ene is sourced from PubChem (CID 123735302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).