3-ethyl-3-(2-ethylhexoxymethyl)oxane

C16H32O2 — CID 22556148

IUPAC3-ethyl-3-(2-ethylhexoxymethyl)oxane
SMILESCCCCC(CC)COCC1(CC)CCCOC1
InChIInChI=1S/C16H32O2/c1-4-7-9-15(5-2)12-18-14-16(6-3)10-8-11-17-13-16/h15H,4-14H2,1-3H3
InChIKeyLXHBMDOANQFWED-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.43
Rot. Bonds9

About 3-ethyl-3-(2-ethylhexoxymethyl)oxane

3-ethyl-3-(2-ethylhexoxymethyl)oxane (PubChem CID 22556148) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-ethyl-3-(2-ethylhexoxymethyl)oxane.

Molecular Properties

Compound Name3-ethyl-3-(2-ethylhexoxymethyl)oxane
PubChem CID22556148
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name3-ethyl-3-(2-ethylhexoxymethyl)oxane
SMILESCCCCC(CC)COCC1(CC)CCCOC1
InChIInChI=1S/C16H32O2/c1-4-7-9-15(5-2)12-18-14-16(6-3)10-8-11-17-13-16/h15H,4-14H2,1-3H3
InChIKeyLXHBMDOANQFWED-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-ethylhexoxymethyl)oxane?
The IUPAC name of 3-ethyl-3-(2-ethylhexoxymethyl)oxane (CID 22556148) is 3-ethyl-3-(2-ethylhexoxymethyl)oxane.
What is the SMILES notation for 3-ethyl-3-(2-ethylhexoxymethyl)oxane?
The canonical SMILES for 3-ethyl-3-(2-ethylhexoxymethyl)oxane is CCCCC(CC)COCC1(CC)CCCOC1.
What is the InChIKey of 3-ethyl-3-(2-ethylhexoxymethyl)oxane?
The InChIKey is LXHBMDOANQFWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-7-9-15(5-2)12-18-14-16(6-3)10-8-11-17-13-16/h15H,4-14H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-ethylhexoxymethyl)oxane?
3-ethyl-3-(2-ethylhexoxymethyl)oxane has a molecular weight of 256.43 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-ethylhexoxymethyl)oxane is sourced from PubChem (CID 22556148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).