1-ethoxy-3-methyl-1-(3-methylbutoxy)butane

C12H26O2 — CID 146679297

IUPAC1-ethoxy-3-methyl-1-(3-methylbutoxy)butane
SMILESCCOC(CC(C)C)OCCC(C)C
InChIInChI=1S/C12H26O2/c1-6-13-12(9-11(4)5)14-8-7-10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyUYMMPSOSUQAQTL-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.46
Rot. Bonds8

About 1-ethoxy-3-methyl-1-(3-methylbutoxy)butane

1-ethoxy-3-methyl-1-(3-methylbutoxy)butane (PubChem CID 146679297) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-ethoxy-3-methyl-1-(3-methylbutoxy)butane.

Molecular Properties

Compound Name1-ethoxy-3-methyl-1-(3-methylbutoxy)butane
PubChem CID146679297
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-ethoxy-3-methyl-1-(3-methylbutoxy)butane
SMILESCCOC(CC(C)C)OCCC(C)C
InChIInChI=1S/C12H26O2/c1-6-13-12(9-11(4)5)14-8-7-10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyUYMMPSOSUQAQTL-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methyl-1-(3-methylbutoxy)butane?
The IUPAC name of 1-ethoxy-3-methyl-1-(3-methylbutoxy)butane (CID 146679297) is 1-ethoxy-3-methyl-1-(3-methylbutoxy)butane.
What is the SMILES notation for 1-ethoxy-3-methyl-1-(3-methylbutoxy)butane?
The canonical SMILES for 1-ethoxy-3-methyl-1-(3-methylbutoxy)butane is CCOC(CC(C)C)OCCC(C)C.
What is the InChIKey of 1-ethoxy-3-methyl-1-(3-methylbutoxy)butane?
The InChIKey is UYMMPSOSUQAQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-6-13-12(9-11(4)5)14-8-7-10(2)3/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-ethoxy-3-methyl-1-(3-methylbutoxy)butane?
1-ethoxy-3-methyl-1-(3-methylbutoxy)butane has a molecular weight of 202.34 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methyl-1-(3-methylbutoxy)butane is sourced from PubChem (CID 146679297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).