2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane

C13H26O3 — CID 158466824

IUPAC2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane
SMILESCCCOC1(OCC)OCCCC1(C)CC
InChIInChI=1S/C13H26O3/c1-5-10-15-13(14-7-3)12(4,6-2)9-8-11-16-13/h5-11H2,1-4H3
InChIKeyHFVXIGJALNYSCD-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.33
Rot. Bonds6

About 2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane

2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane (PubChem CID 158466824) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane.

Molecular Properties

Compound Name2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane
PubChem CID158466824
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane
SMILESCCCOC1(OCC)OCCCC1(C)CC
InChIInChI=1S/C13H26O3/c1-5-10-15-13(14-7-3)12(4,6-2)9-8-11-16-13/h5-11H2,1-4H3
InChIKeyHFVXIGJALNYSCD-UHFFFAOYSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3-triethoxy-3-methyloxane
CID 150971833
1,1-dipropoxycyclodecane
CID 89439642
ethene;2-ethoxy-2-methyloxane
CID 162017972
1-ethyl-1-propoxycyclopropane
CID 59107418
1-propoxycyclohexan-1-ol
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(4-propoxyoxan-4-yl)methanamine
CID 65051760
2-ethyl-2-fluorooxolane;fluoroethane;fluoromethane
CID 91569034
CID 71376373
CID 71376373
1-(1-propoxycyclobutyl)ethanone
CID 83224918
2-ethyloxolane-2-carbaldehyde
CID 165476107
1,1-dipropoxycyclononane;trimethylphosphane;hydroiodide
CID 175350547
8-ethyl-1-oxaspiro[4.5]decane
CID 137449478

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane?
The IUPAC name of 2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane (CID 158466824) is 2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane.
What is the SMILES notation for 2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane?
The canonical SMILES for 2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane is CCCOC1(OCC)OCCCC1(C)CC.
What is the InChIKey of 2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane?
The InChIKey is HFVXIGJALNYSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-5-10-15-13(14-7-3)12(4,6-2)9-8-11-16-13/h5-11H2,1-4H3.
What are the key properties of 2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane?
2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane has a molecular weight of 230.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane is sourced from PubChem (CID 158466824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).