2-(butan-2-yloxymethoxy)butane

C9H20O2 — CID 17380

IUPAC2-(butan-2-yloxymethoxy)butane
SMILESCCC(C)OCOC(C)CC
InChIInChI=1S/C9H20O2/c1-5-8(3)10-7-11-9(4)6-2/h8-9H,5-7H2,1-4H3
InChIKeyYJBUXLCNFNPNEB-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.57
Rot. Bonds6

About 2-(butan-2-yloxymethoxy)butane

2-(butan-2-yloxymethoxy)butane (PubChem CID 17380) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-(butan-2-yloxymethoxy)butane.

Molecular Properties

Compound Name2-(butan-2-yloxymethoxy)butane
PubChem CID17380
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2-(butan-2-yloxymethoxy)butane
SMILESCCC(C)OCOC(C)CC
InChIInChI=1S/C9H20O2/c1-5-8(3)10-7-11-9(4)6-2/h8-9H,5-7H2,1-4H3
InChIKeyYJBUXLCNFNPNEB-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(butan-2-yloxymethoxy)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 2-(butan-2-yloxymethoxy)butane?
The IUPAC name of 2-(butan-2-yloxymethoxy)butane (CID 17380) is 2-(butan-2-yloxymethoxy)butane.
What is the SMILES notation for 2-(butan-2-yloxymethoxy)butane?
The canonical SMILES for 2-(butan-2-yloxymethoxy)butane is CCC(C)OCOC(C)CC.
What is the InChIKey of 2-(butan-2-yloxymethoxy)butane?
The InChIKey is YJBUXLCNFNPNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-8(3)10-7-11-9(4)6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(butan-2-yloxymethoxy)butane?
2-(butan-2-yloxymethoxy)butane has a molecular weight of 160.26 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethoxy)butane is sourced from PubChem (CID 17380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).