2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran

C19H36O2 — CID 71082384

IUPAC2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran
SMILESCCCC(C)C(C)C(C)C(C)OC1C(C=COC1CC)C
InChIInChI=1S/C19H36O2/c1-8-10-13(3)15(5)16(6)17(7)21-19-14(4)11-12-20-18(19)9-2/h11-19H,8-10H2,1-7H3
InChIKeyNXVWCOSLLFPRQW-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.40
Rot. Bonds8

About 2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran

2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran (PubChem CID 71082384) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran
PubChem CID71082384
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran
SMILESCCCC(C)C(C)C(C)C(C)OC1C(C=COC1CC)C
InChIInChI=1S/C19H36O2/c1-8-10-13(3)15(5)16(6)17(7)21-19-14(4)11-12-20-18(19)9-2/h11-19H,8-10H2,1-7H3
InChIKeyNXVWCOSLLFPRQW-UHFFFAOYSA-N
XLogP6.40
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity313

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran?
The IUPAC name of 2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran (CID 71082384) is 2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran is CCCC(C)C(C)C(C)C(C)OC1C(C=COC1CC)C.
What is the InChIKey of 2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran?
The InChIKey is NXVWCOSLLFPRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-8-10-13(3)15(5)16(6)17(7)21-19-14(4)11-12-20-18(19)9-2/h11-19H,8-10H2,1-7H3.
What are the key properties of 2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran?
2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran has a molecular weight of 296.50 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 71082384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).