4-methoxy-2-methylbut-1-ene

C6H12O — CID 542352

IUPAC4-methoxy-2-methylbut-1-ene
SMILESC=C(C)CCOC
InChIInChI=1S/C6H12O/c1-6(2)4-5-7-3/h1,4-5H2,2-3H3
InChIKeyRWOKSHXRXBYVOC-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.60
Rot. Bonds3

About 4-methoxy-2-methylbut-1-ene

4-methoxy-2-methylbut-1-ene (PubChem CID 542352) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 4-methoxy-2-methylbut-1-ene.

Molecular Properties

Compound Name4-methoxy-2-methylbut-1-ene
PubChem CID542352
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name4-methoxy-2-methylbut-1-ene
SMILESC=C(C)CCOC
InChIInChI=1S/C6H12O/c1-6(2)4-5-7-3/h1,4-5H2,2-3H3
InChIKeyRWOKSHXRXBYVOC-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylbut-1-ene?
The IUPAC name of 4-methoxy-2-methylbut-1-ene (CID 542352) is 4-methoxy-2-methylbut-1-ene.
What is the SMILES notation for 4-methoxy-2-methylbut-1-ene?
The canonical SMILES for 4-methoxy-2-methylbut-1-ene is C=C(C)CCOC.
What is the InChIKey of 4-methoxy-2-methylbut-1-ene?
The InChIKey is RWOKSHXRXBYVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-6(2)4-5-7-3/h1,4-5H2,2-3H3.
What are the key properties of 4-methoxy-2-methylbut-1-ene?
4-methoxy-2-methylbut-1-ene has a molecular weight of 100.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylbut-1-ene is sourced from PubChem (CID 542352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).