3-ethyl-5-methyl-3-phenyloxane

C14H20O — CID 20826371

IUPAC3-ethyl-5-methyl-3-phenyloxane
SMILESCCC1(c2ccccc2)COCC(C)C1
InChIInChI=1S/C14H20O/c1-3-14(9-12(2)10-15-11-14)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyDINDEZXVRPVENG-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.39
Rot. Bonds2

About 3-ethyl-5-methyl-3-phenyloxane

3-ethyl-5-methyl-3-phenyloxane (PubChem CID 20826371) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-ethyl-5-methyl-3-phenyloxane.

Molecular Properties

Compound Name3-ethyl-5-methyl-3-phenyloxane
PubChem CID20826371
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-ethyl-5-methyl-3-phenyloxane
SMILESCCC1(c2ccccc2)COCC(C)C1
InChIInChI=1S/C14H20O/c1-3-14(9-12(2)10-15-11-14)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyDINDEZXVRPVENG-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-3-phenyloxane?
The IUPAC name of 3-ethyl-5-methyl-3-phenyloxane (CID 20826371) is 3-ethyl-5-methyl-3-phenyloxane.
What is the SMILES notation for 3-ethyl-5-methyl-3-phenyloxane?
The canonical SMILES for 3-ethyl-5-methyl-3-phenyloxane is CCC1(c2ccccc2)COCC(C)C1.
What is the InChIKey of 3-ethyl-5-methyl-3-phenyloxane?
The InChIKey is DINDEZXVRPVENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-14(9-12(2)10-15-11-14)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-3-phenyloxane?
3-ethyl-5-methyl-3-phenyloxane has a molecular weight of 204.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-3-phenyloxane is sourced from PubChem (CID 20826371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).