(E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene

C11H22O — CID 13138923

IUPAC(E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC/C(=C\OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H22O/c1-9(10(2,3)4)8-12-11(5,6)7/h8H,1-7H3/b9-8+
InChIKeyJCDSQZSLXHAJFJ-CMDGGOBGSA-N
MW170.30 g/mol
LogP3.75
Rot. Bonds1

About (E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene

(E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene (PubChem CID 13138923) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene.

Molecular Properties

Compound Name(E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
PubChem CID13138923
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC/C(=C\OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H22O/c1-9(10(2,3)4)8-12-11(5,6)7/h8H,1-7H3/b9-8+
InChIKeyJCDSQZSLXHAJFJ-CMDGGOBGSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.75
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

3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene
CID 21625930
(E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 13138919
(Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 13138922
(E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene
CID 22234791
2-Methyl-2-(2-methylprop-1-enoxy)butane
CID 22234808
3-(2-Methylbutan-2-yloxymethylidene)pentane
CID 22234817
(E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene
CID 22234835
3-[(2-Methylpropan-2-yl)oxymethylidene]pentane
CID 22234839
(Z)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 58200129
2-Methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 73166363
1-(2,2-Dimethylpropoxy)-2-methylbut-1-ene
CID 73877094
2-Methyl-1-(2-methylbutan-2-yloxy)but-1-ene
CID 73877102

Frequently Asked Questions

What is the IUPAC name of (E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The IUPAC name of (E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene (CID 13138923) is (E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene.
What is the SMILES notation for (E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The canonical SMILES for (E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene is C/C(=C\OC(C)(C)C)C(C)(C)C.
What is the InChIKey of (E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The InChIKey is JCDSQZSLXHAJFJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H22O/c1-9(10(2,3)4)8-12-11(5,6)7/h8H,1-7H3/b9-8+.
What are the key properties of (E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
(E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene is sourced from PubChem (CID 13138923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).