2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane

C20H38O3 — CID 22950357

IUPAC2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane
SMILESCCC1OC(OC2C(CC)OC(C)C(C)C2C)C(C)C(C)C1C
InChIInChI=1S/C20H38O3/c1-9-17-13(5)11(3)15(7)20(22-17)23-19-14(6)12(4)16(8)21-18(19)10-2/h11-20H,9-10H2,1-8H3
InChIKeyOSNSZFQCFGVNFA-UHFFFAOYSA-N
MW326.52 g/mol
LogP4.88
Rot. Bonds4

About 2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane

2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane (PubChem CID 22950357) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane.

Molecular Properties

Compound Name2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane
PubChem CID22950357
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane
SMILESCCC1OC(OC2C(CC)OC(C)C(C)C2C)C(C)C(C)C1C
InChIInChI=1S/C20H38O3/c1-9-17-13(5)11(3)15(7)20(22-17)23-19-14(6)12(4)16(8)21-18(19)10-2/h11-20H,9-10H2,1-8H3
InChIKeyOSNSZFQCFGVNFA-UHFFFAOYSA-N
XLogP4.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane?
The IUPAC name of 2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane (CID 22950357) is 2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane.
What is the SMILES notation for 2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane?
The canonical SMILES for 2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane is CCC1OC(OC2C(CC)OC(C)C(C)C2C)C(C)C(C)C1C.
What is the InChIKey of 2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane?
The InChIKey is OSNSZFQCFGVNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-9-17-13(5)11(3)15(7)20(22-17)23-19-14(6)12(4)16(8)21-18(19)10-2/h11-20H,9-10H2,1-8H3.
What are the key properties of 2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane?
2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane has a molecular weight of 326.52 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-4,5,6-trimethyloxane is sourced from PubChem (CID 22950357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).