2-ethoxy-3-methylbutane

C7H16O — CID 18936143

IUPAC2-ethoxy-3-methylbutane
SMILESCCOC(C)C(C)C
InChIInChI=1S/C7H16O/c1-5-8-7(4)6(2)3/h6-7H,5H2,1-4H3
InChIKeyUJRCLZKWBWUTRC-UHFFFAOYSA-N
MW116.20 g/mol
LogP2.07
Rot. Bonds3

About 2-ethoxy-3-methylbutane

2-ethoxy-3-methylbutane (PubChem CID 18936143) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 2-ethoxy-3-methylbutane.

Molecular Properties

Compound Name2-ethoxy-3-methylbutane
PubChem CID18936143
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name2-ethoxy-3-methylbutane
SMILESCCOC(C)C(C)C
InChIInChI=1S/C7H16O/c1-5-8-7(4)6(2)3/h6-7H,5H2,1-4H3
InChIKeyUJRCLZKWBWUTRC-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethoxy-3-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Butane, 2-ethoxy-2-methyl-
CID 13527
Propane, 2-methyl-2-(1-methylethoxy)-
CID 28488
1-Ethoxy-3-methylbutane
CID 120303
Propane, 2-methyl-1-propoxy-
CID 139920
2-Methyl-1-((propan-2-yl)oxy)propane
CID 14671559
2-((Propan-2-yl)oxy)butane
CID 29179
Butane, 2-methoxy-3-methyl-
CID 547676
1-Ethoxy-2-methylbutane
CID 14693963
3-Methylbutyl 1-methylethyl ether
CID 21894216
1,2-Dimethylpropyl methyl ether
CID 59039402
2-Propoxybutane
CID 522002
2-(Isobutoxy) butane
CID 18739299

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methylbutane?
The IUPAC name of 2-ethoxy-3-methylbutane (CID 18936143) is 2-ethoxy-3-methylbutane.
What is the SMILES notation for 2-ethoxy-3-methylbutane?
The canonical SMILES for 2-ethoxy-3-methylbutane is CCOC(C)C(C)C.
What is the InChIKey of 2-ethoxy-3-methylbutane?
The InChIKey is UJRCLZKWBWUTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-5-8-7(4)6(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 2-ethoxy-3-methylbutane?
2-ethoxy-3-methylbutane has a molecular weight of 116.20 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methylbutane is sourced from PubChem (CID 18936143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).