3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene

C9H18O — CID 59050366

IUPAC3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC=CC(C)(C)OC(C)(C)C
InChIInChI=1S/C9H18O/c1-7-9(5,6)10-8(2,3)4/h7H,1H2,2-6H3
InChIKeyLVNSRZGRRLNAPK-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds2

About 3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene

3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene (PubChem CID 59050366) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene.

Molecular Properties

Compound Name3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene
PubChem CID59050366
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC=CC(C)(C)OC(C)(C)C
InChIInChI=1S/C9H18O/c1-7-9(5,6)10-8(2,3)4/h7H,1H2,2-6H3
InChIKeyLVNSRZGRRLNAPK-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
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 3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene?
The IUPAC name of 3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene (CID 59050366) is 3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene.
What is the SMILES notation for 3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene?
The canonical SMILES for 3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene is C=CC(C)(C)OC(C)(C)C.
What is the InChIKey of 3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene?
The InChIKey is LVNSRZGRRLNAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7-9(5,6)10-8(2,3)4/h7H,1H2,2-6H3.
What are the key properties of 3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene?
3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ene is sourced from PubChem (CID 59050366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).