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

C9H18O — CID 13138919

IUPAC(E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESCC/C(C)=C/OC(C)(C)C
InChIInChI=1S/C9H18O/c1-6-8(2)7-10-9(3,4)5/h7H,6H2,1-5H3/b8-7+
InChIKeyHGUFXNHYFCDLFW-BQYQJAHWSA-N
MW142.24 g/mol
LogP3.12
Rot. Bonds2

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

(E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene (PubChem CID 13138919) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene.

Molecular Properties

Compound Name(E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
PubChem CID13138919
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESCC/C(C)=C/OC(C)(C)C
InChIInChI=1S/C9H18O/c1-6-8(2)7-10-9(3,4)5/h7H,6H2,1-5H3/b8-7+
InChIKeyHGUFXNHYFCDLFW-BQYQJAHWSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 21625930
CID 21625930
CID 3033474
CID 3033474
CID 3033475
CID 3033475
CID 21625927
CID 21625927
CID 21625928
CID 21625928
CID 13138923
CID 13138923
CID 22234811
CID 22234811
CID 102396972
CID 102396972
CID 102396973
CID 102396973
CID 13138922
CID 13138922
CID 50543
CID 50543
CID 12512193
CID 12512193

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The IUPAC name of (E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene (CID 13138919) is (E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene.
What is the SMILES notation for (E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The canonical SMILES for (E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene is CC/C(C)=C/OC(C)(C)C.
What is the InChIKey of (E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The InChIKey is HGUFXNHYFCDLFW-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18O/c1-6-8(2)7-10-9(3,4)5/h7H,6H2,1-5H3/b8-7+.
What are the key properties of (E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
(E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene has a molecular weight of 142.24 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene is sourced from PubChem (CID 13138919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).