1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane

C13H26O3 — CID 138565499

IUPAC1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane
SMILESC=CC(C)(C)OCC(CC)COCOCC
InChIInChI=1S/C13H26O3/c1-6-12(9-15-11-14-8-3)10-16-13(4,5)7-2/h7,12H,2,6,8-11H2,1,3-5H3
InChIKeyOPYBDGMKEHWUIM-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.00
Rot. Bonds10

About 1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane

1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane (PubChem CID 138565499) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane.

Molecular Properties

Compound Name1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane
PubChem CID138565499
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane
SMILESC=CC(C)(C)OCC(CC)COCOCC
InChIInChI=1S/C13H26O3/c1-6-12(9-15-11-14-8-3)10-16-13(4,5)7-2/h7,12H,2,6,8-11H2,1,3-5H3
InChIKeyOPYBDGMKEHWUIM-UHFFFAOYSA-N
XLogP3.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane?
The IUPAC name of 1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane (CID 138565499) is 1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane.
What is the SMILES notation for 1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane?
The canonical SMILES for 1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane is C=CC(C)(C)OCC(CC)COCOCC.
What is the InChIKey of 1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane?
The InChIKey is OPYBDGMKEHWUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-6-12(9-15-11-14-8-3)10-16-13(4,5)7-2/h7,12H,2,6,8-11H2,1,3-5H3.
What are the key properties of 1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane?
1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane has a molecular weight of 230.35 g/mol, XLogP of 3.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane is sourced from PubChem (CID 138565499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).