4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene

C11H22O2 — CID 15032737

IUPAC4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC=C(C)CC(OCC)OC(C)(C)C
InChIInChI=1S/C11H22O2/c1-7-12-10(8-9(2)3)13-11(4,5)6/h10H,2,7-8H2,1,3-6H3
InChIKeyUDAGEDJOIZKWDX-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.13
Rot. Bonds5

About 4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene

4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene (PubChem CID 15032737) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene.

Molecular Properties

Compound Name4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
PubChem CID15032737
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC=C(C)CC(OCC)OC(C)(C)C
InChIInChI=1S/C11H22O2/c1-7-12-10(8-9(2)3)13-11(4,5)6/h10H,2,7-8H2,1,3-6H3
InChIKeyUDAGEDJOIZKWDX-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-Diethoxy-2-methylbut-1-ene
CID 542747
Cyclopropane, 1-(diethoxymethyl)-2-methylene-
CID 568462
2-Methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene
CID 20504084
4,4,4-Triethoxy-2-methylbut-1-ene
CID 86056363
4,4-Bis[(2-methylpropan-2-yl)oxy]but-1-ene
CID 135060669
Tributyl[2-(2,2-diethoxyethyl)prop-2-en-1-yl]stannane
CID 175672908
4-(1-Ethoxyethoxy)-2-methyl-1-butene
CID 10866611
(E)-4,4-diethoxy-1-iodo-2-methylbut-1-ene
CID 11087298
tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane
CID 11730012
5,5-Diethoxy-3-methylidenepent-1-ene
CID 15410371
2-Butoxy-4-methyl-2,3-dihydrofuran
CID 12361555
2-Methyl-4,4-bis(2-methylprop-2-enoxy)but-1-ene
CID 20333593

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
The IUPAC name of 4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene (CID 15032737) is 4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene.
What is the SMILES notation for 4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
The canonical SMILES for 4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene is C=C(C)CC(OCC)OC(C)(C)C.
What is the InChIKey of 4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
The InChIKey is UDAGEDJOIZKWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-7-12-10(8-9(2)3)13-11(4,5)6/h10H,2,7-8H2,1,3-6H3.
What are the key properties of 4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene has a molecular weight of 186.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene is sourced from PubChem (CID 15032737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).