3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane

C11H22O2 — CID 20504083

IUPAC3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane
SMILESCOC(C)(C)CCOCC=C(C)C
InChIInChI=1S/C11H22O2/c1-10(2)6-8-13-9-7-11(3,4)12-5/h6H,7-9H2,1-5H3
InChIKeyYKOFCKQKPOQJLH-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.78
Rot. Bonds6

About 3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane

3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane (PubChem CID 20504083) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane
PubChem CID20504083
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane
SMILESCOC(C)(C)CCOCC=C(C)C
InChIInChI=1S/C11H22O2/c1-10(2)6-8-13-9-7-11(3,4)12-5/h6H,7-9H2,1-5H3
InChIKeyYKOFCKQKPOQJLH-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)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 3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane?
The IUPAC name of 3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane (CID 20504083) is 3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane.
What is the SMILES notation for 3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane?
The canonical SMILES for 3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane is COC(C)(C)CCOCC=C(C)C.
What is the InChIKey of 3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane?
The InChIKey is YKOFCKQKPOQJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(2)6-8-13-9-7-11(3,4)12-5/h6H,7-9H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane?
3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane has a molecular weight of 186.29 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(3-methylbut-2-enoxy)butane is sourced from PubChem (CID 20504083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).