1-(2-methylprop-2-enoxy)but-1-ene

C8H14O — CID 57093238

IUPAC1-(2-methylprop-2-enoxy)but-1-ene
SMILESC=C(C)COC=CCC
InChIInChI=1S/C8H14O/c1-4-5-6-9-7-8(2)3/h5-6H,2,4,7H2,1,3H3
InChIKeyPKKWTTINFNUWDW-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.50
Rot. Bonds4

About 1-(2-methylprop-2-enoxy)but-1-ene

1-(2-methylprop-2-enoxy)but-1-ene (PubChem CID 57093238) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)but-1-ene.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)but-1-ene
PubChem CID57093238
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-(2-methylprop-2-enoxy)but-1-ene
SMILESC=C(C)COC=CCC
InChIInChI=1S/C8H14O/c1-4-5-6-9-7-8(2)3/h5-6H,2,4,7H2,1,3H3
InChIKeyPKKWTTINFNUWDW-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.50
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'}

Analyze 1-(2-methylprop-2-enoxy)but-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methylene-4h-pyran
CID 56637807
Isoprenyl ether
CID 57029633
1-[(E)-but-1-enoxy]-3-methylbut-2-ene
CID 10582873
(3Z)-3-(prop-2-enoxymethylidene)heptane
CID 12512197
2-Ethoxy-3-methylidenepenta-1,4-diene
CID 13540038
2-Methyl-1-prop-2-enoxyprop-1-ene
CID 85812057
1-But-3-en-2-yloxybut-1-ene
CID 91383727
3,3-Dimethyl-1-prop-2-enoxybut-1-ene
CID 134840432
1-[(E)-but-2-enoxy]-3,3-dimethylbut-1-ene
CID 134859181
(E)-1-(2-methylprop-1-enoxy)but-2-ene
CID 134976135
3-methyl-1-[(E)-prop-1-enoxy]but-2-ene
CID 10510866
7-Methoxyhepta-1,4,5-triene
CID 11040698

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)but-1-ene?
The IUPAC name of 1-(2-methylprop-2-enoxy)but-1-ene (CID 57093238) is 1-(2-methylprop-2-enoxy)but-1-ene.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)but-1-ene?
The canonical SMILES for 1-(2-methylprop-2-enoxy)but-1-ene is C=C(C)COC=CCC.
What is the InChIKey of 1-(2-methylprop-2-enoxy)but-1-ene?
The InChIKey is PKKWTTINFNUWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-5-6-9-7-8(2)3/h5-6H,2,4,7H2,1,3H3.
What are the key properties of 1-(2-methylprop-2-enoxy)but-1-ene?
1-(2-methylprop-2-enoxy)but-1-ene has a molecular weight of 126.20 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)but-1-ene is sourced from PubChem (CID 57093238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).