4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene

C11H22O3 — CID 118104079

IUPAC4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene
SMILESC=C(C)CCOCCOC(C)COC
InChIInChI=1S/C11H22O3/c1-10(2)5-6-13-7-8-14-11(3)9-12-4/h11H,1,5-9H2,2-4H3
InChIKeyKWMBVUCTWBLECK-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.02
Rot. Bonds9

About 4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene

4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene (PubChem CID 118104079) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene.

Molecular Properties

Compound Name4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene
PubChem CID118104079
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene
SMILESC=C(C)CCOCCOC(C)COC
InChIInChI=1S/C11H22O3/c1-10(2)5-6-13-7-8-14-11(3)9-12-4/h11H,1,5-9H2,2-4H3
InChIKeyKWMBVUCTWBLECK-UHFFFAOYSA-N
XLogP2.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(1-methoxypropan-2-yloxy)ethoxy]-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 4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene?
The IUPAC name of 4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene (CID 118104079) is 4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene.
What is the SMILES notation for 4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene?
The canonical SMILES for 4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene is C=C(C)CCOCCOC(C)COC.
What is the InChIKey of 4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene?
The InChIKey is KWMBVUCTWBLECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2)5-6-13-7-8-14-11(3)9-12-4/h11H,1,5-9H2,2-4H3.
What are the key properties of 4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene?
4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene has a molecular weight of 202.29 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene is sourced from PubChem (CID 118104079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).