2-ethoxypropane

C5H12O — CID 12256

IUPAC2-ethoxypropane
SMILESCCOC(C)C
InChIInChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3
InChIKeyXSJVWZAETSBXKU-UHFFFAOYSA-N
MW88.15 g/mol
LogP1.43
Rot. Bonds2

About 2-ethoxypropane

2-ethoxypropane (PubChem CID 12256) has the molecular formula C5H12O and a molecular weight of 88.15 g/mol. Its IUPAC name is 2-ethoxypropane.

Molecular Properties

Compound Name2-ethoxypropane
PubChem CID12256
Molecular FormulaC5H12O
Molecular Weight88.15 g/mol
Exact Mass88.09
IUPAC Name2-ethoxypropane
SMILESCCOC(C)C
InChIInChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3
InChIKeyXSJVWZAETSBXKU-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diisopropyl Ether
CID 7914
Ethyl tert-butyl ether
CID 12512
Propyl ether
CID 8114
2-Ethoxybutane
CID 17586
Bis(2-butyl) ether
CID 23294
2-Butylene oxide
CID 18632
2-Methyloxetane
CID 16565
Propane, 1-(1-methylethoxy)-
CID 12304
trans-2,3-Dimethyloxirane
CID 30664
cis-2,3-Epoxybutane
CID 92162
2-Methoxypropane
CID 11721
Ethyl propyl ether
CID 12340

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropane?
The IUPAC name of 2-ethoxypropane (CID 12256) is 2-ethoxypropane.
What is the SMILES notation for 2-ethoxypropane?
The canonical SMILES for 2-ethoxypropane is CCOC(C)C.
What is the InChIKey of 2-ethoxypropane?
The InChIKey is XSJVWZAETSBXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-ethoxypropane?
2-ethoxypropane has a molecular weight of 88.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropane is sourced from PubChem (CID 12256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).