2-ethoxybutane

C6H14O — CID 17586

IUPAC2-ethoxybutane
SMILESCCOC(C)CC
InChIInChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3
InChIKeyVSCUCHUDCLERMY-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.82
Rot. Bonds3

About 2-ethoxybutane

2-ethoxybutane (PubChem CID 17586) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 2-ethoxybutane.

Molecular Properties

Compound Name2-ethoxybutane
PubChem CID17586
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name2-ethoxybutane
SMILESCCOC(C)CC
InChIInChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3
InChIKeyVSCUCHUDCLERMY-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxybutane?
The IUPAC name of 2-ethoxybutane (CID 17586) is 2-ethoxybutane.
What is the SMILES notation for 2-ethoxybutane?
The canonical SMILES for 2-ethoxybutane is CCOC(C)CC.
What is the InChIKey of 2-ethoxybutane?
The InChIKey is VSCUCHUDCLERMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 2-ethoxybutane?
2-ethoxybutane has a molecular weight of 102.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybutane is sourced from PubChem (CID 17586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).