3-methyl-1-(2-methylprop-1-enoxy)butane

C9H18O — CID 15419788

IUPAC3-methyl-1-(2-methylprop-1-enoxy)butane
SMILESCC(C)=COCCC(C)C
InChIInChI=1S/C9H18O/c1-8(2)5-6-10-7-9(3)4/h7-8H,5-6H2,1-4H3
InChIKeyKNOHBVLWHNADHO-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds4

About 3-methyl-1-(2-methylprop-1-enoxy)butane

3-methyl-1-(2-methylprop-1-enoxy)butane (PubChem CID 15419788) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-methyl-1-(2-methylprop-1-enoxy)butane.

Molecular Properties

Compound Name3-methyl-1-(2-methylprop-1-enoxy)butane
PubChem CID15419788
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-methyl-1-(2-methylprop-1-enoxy)butane
SMILESCC(C)=COCCC(C)C
InChIInChI=1S/C9H18O/c1-8(2)5-6-10-7-9(3)4/h7-8H,5-6H2,1-4H3
InChIKeyKNOHBVLWHNADHO-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylprop-1-enoxy)butane?
The IUPAC name of 3-methyl-1-(2-methylprop-1-enoxy)butane (CID 15419788) is 3-methyl-1-(2-methylprop-1-enoxy)butane.
What is the SMILES notation for 3-methyl-1-(2-methylprop-1-enoxy)butane?
The canonical SMILES for 3-methyl-1-(2-methylprop-1-enoxy)butane is CC(C)=COCCC(C)C.
What is the InChIKey of 3-methyl-1-(2-methylprop-1-enoxy)butane?
The InChIKey is KNOHBVLWHNADHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)5-6-10-7-9(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-methyl-1-(2-methylprop-1-enoxy)butane?
3-methyl-1-(2-methylprop-1-enoxy)butane has a molecular weight of 142.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylprop-1-enoxy)butane is sourced from PubChem (CID 15419788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).