3-ethyl-3-(hexoxymethyl)oxane

C14H28O2 — CID 158100481

IUPAC3-ethyl-3-(hexoxymethyl)oxane
SMILESCCCCCCOCC1(CC)CCCOC1
InChIInChI=1S/C14H28O2/c1-3-5-6-7-10-15-12-14(4-2)9-8-11-16-13-14/h3-13H2,1-2H3
InChIKeyIWLLWJCTVLMCRA-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.79
Rot. Bonds8

About 3-ethyl-3-(hexoxymethyl)oxane

3-ethyl-3-(hexoxymethyl)oxane (PubChem CID 158100481) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-ethyl-3-(hexoxymethyl)oxane.

Molecular Properties

Compound Name3-ethyl-3-(hexoxymethyl)oxane
PubChem CID158100481
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-ethyl-3-(hexoxymethyl)oxane
SMILESCCCCCCOCC1(CC)CCCOC1
InChIInChI=1S/C14H28O2/c1-3-5-6-7-10-15-12-14(4-2)9-8-11-16-13-14/h3-13H2,1-2H3
InChIKeyIWLLWJCTVLMCRA-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(hexoxymethyl)oxane?
The IUPAC name of 3-ethyl-3-(hexoxymethyl)oxane (CID 158100481) is 3-ethyl-3-(hexoxymethyl)oxane.
What is the SMILES notation for 3-ethyl-3-(hexoxymethyl)oxane?
The canonical SMILES for 3-ethyl-3-(hexoxymethyl)oxane is CCCCCCOCC1(CC)CCCOC1.
What is the InChIKey of 3-ethyl-3-(hexoxymethyl)oxane?
The InChIKey is IWLLWJCTVLMCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-6-7-10-15-12-14(4-2)9-8-11-16-13-14/h3-13H2,1-2H3.
What are the key properties of 3-ethyl-3-(hexoxymethyl)oxane?
3-ethyl-3-(hexoxymethyl)oxane has a molecular weight of 228.38 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(hexoxymethyl)oxane is sourced from PubChem (CID 158100481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).