2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane

C16H28O4 — CID 23564033

IUPAC2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane
SMILESC#COC(COC)COC1OC(CC)C(C)C(C)C1C
InChIInChI=1S/C16H28O4/c1-7-15-12(4)11(3)13(5)16(20-15)19-10-14(9-17-6)18-8-2/h2,11-16H,7,9-10H2,1,3-6H3
InChIKeyVZISVXCXVAEBCG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.67
Rot. Bonds7

About 2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane

2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane (PubChem CID 23564033) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane.

Molecular Properties

Compound Name2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane
PubChem CID23564033
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane
SMILESC#COC(COC)COC1OC(CC)C(C)C(C)C1C
InChIInChI=1S/C16H28O4/c1-7-15-12(4)11(3)13(5)16(20-15)19-10-14(9-17-6)18-8-2/h2,11-16H,7,9-10H2,1,3-6H3
InChIKeyVZISVXCXVAEBCG-UHFFFAOYSA-N
XLogP2.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane?
The IUPAC name of 2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane (CID 23564033) is 2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane.
What is the SMILES notation for 2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane?
The canonical SMILES for 2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane is C#COC(COC)COC1OC(CC)C(C)C(C)C1C.
What is the InChIKey of 2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane?
The InChIKey is VZISVXCXVAEBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-7-15-12(4)11(3)13(5)16(20-15)19-10-14(9-17-6)18-8-2/h2,11-16H,7,9-10H2,1,3-6H3.
What are the key properties of 2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane?
2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane has a molecular weight of 284.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-ethynoxy-3-methoxypropoxy)-3,4,5-trimethyloxane is sourced from PubChem (CID 23564033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).