1-(2-butoxyethoxy)-2-methylbut-1-ene

C11H22O2 — CID 91090413

IUPAC1-(2-butoxyethoxy)-2-methylbut-1-ene
SMILESCCCCOCCOC=C(C)CC
InChIInChI=1S/C11H22O2/c1-4-6-7-12-8-9-13-10-11(3)5-2/h10H,4-9H2,1-3H3
InChIKeyDKFQIIMKHJHSKY-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.13
Rot. Bonds8

About 1-(2-butoxyethoxy)-2-methylbut-1-ene

1-(2-butoxyethoxy)-2-methylbut-1-ene (PubChem CID 91090413) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-2-methylbut-1-ene.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-2-methylbut-1-ene
PubChem CID91090413
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-(2-butoxyethoxy)-2-methylbut-1-ene
SMILESCCCCOCCOC=C(C)CC
InChIInChI=1S/C11H22O2/c1-4-6-7-12-8-9-13-10-11(3)5-2/h10H,4-9H2,1-3H3
InChIKeyDKFQIIMKHJHSKY-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-butoxyethoxy)-2-methylbut-1-ene 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-(2-butoxyethoxy)-2-methylbut-1-ene?
The IUPAC name of 1-(2-butoxyethoxy)-2-methylbut-1-ene (CID 91090413) is 1-(2-butoxyethoxy)-2-methylbut-1-ene.
What is the SMILES notation for 1-(2-butoxyethoxy)-2-methylbut-1-ene?
The canonical SMILES for 1-(2-butoxyethoxy)-2-methylbut-1-ene is CCCCOCCOC=C(C)CC.
What is the InChIKey of 1-(2-butoxyethoxy)-2-methylbut-1-ene?
The InChIKey is DKFQIIMKHJHSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-6-7-12-8-9-13-10-11(3)5-2/h10H,4-9H2,1-3H3.
What are the key properties of 1-(2-butoxyethoxy)-2-methylbut-1-ene?
1-(2-butoxyethoxy)-2-methylbut-1-ene has a molecular weight of 186.29 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-2-methylbut-1-ene is sourced from PubChem (CID 91090413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).