2-methyl-4-(3-methylbut-3-enoxy)but-1-ene

C10H18O — CID 22034429

IUPAC2-methyl-4-(3-methylbut-3-enoxy)but-1-ene
SMILESC=C(C)CCOCCC(=C)C
InChIInChI=1S/C10H18O/c1-9(2)5-7-11-8-6-10(3)4/h1,3,5-8H2,2,4H3
InChIKeyFYRRWGUSDSVKRL-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.94
Rot. Bonds6

About 2-methyl-4-(3-methylbut-3-enoxy)but-1-ene

2-methyl-4-(3-methylbut-3-enoxy)but-1-ene (PubChem CID 22034429) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-methyl-4-(3-methylbut-3-enoxy)but-1-ene.

Molecular Properties

Compound Name2-methyl-4-(3-methylbut-3-enoxy)but-1-ene
PubChem CID22034429
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-methyl-4-(3-methylbut-3-enoxy)but-1-ene
SMILESC=C(C)CCOCCC(=C)C
InChIInChI=1S/C10H18O/c1-9(2)5-7-11-8-6-10(3)4/h1,3,5-8H2,2,4H3
InChIKeyFYRRWGUSDSVKRL-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylbut-3-enoxy)but-1-ene?
The IUPAC name of 2-methyl-4-(3-methylbut-3-enoxy)but-1-ene (CID 22034429) is 2-methyl-4-(3-methylbut-3-enoxy)but-1-ene.
What is the SMILES notation for 2-methyl-4-(3-methylbut-3-enoxy)but-1-ene?
The canonical SMILES for 2-methyl-4-(3-methylbut-3-enoxy)but-1-ene is C=C(C)CCOCCC(=C)C.
What is the InChIKey of 2-methyl-4-(3-methylbut-3-enoxy)but-1-ene?
The InChIKey is FYRRWGUSDSVKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)5-7-11-8-6-10(3)4/h1,3,5-8H2,2,4H3.
What are the key properties of 2-methyl-4-(3-methylbut-3-enoxy)but-1-ene?
2-methyl-4-(3-methylbut-3-enoxy)but-1-ene has a molecular weight of 154.25 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylbut-3-enoxy)but-1-ene is sourced from PubChem (CID 22034429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).