2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane

C19H30O — CID 21362325

IUPAC2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane
SMILESCCC1OC(Cc2cc(C)cc(C)c2)C(C)C(C)C1C
InChIInChI=1S/C19H30O/c1-7-18-15(5)14(4)16(6)19(20-18)11-17-9-12(2)8-13(3)10-17/h8-10,14-16,18-19H,7,11H2,1-6H3
InChIKeyVQMKITVFHXXUBH-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.93
Rot. Bonds3

About 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane

2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane (PubChem CID 21362325) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane
PubChem CID21362325
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane
SMILESCCC1OC(Cc2cc(C)cc(C)c2)C(C)C(C)C1C
InChIInChI=1S/C19H30O/c1-7-18-15(5)14(4)16(6)19(20-18)11-17-9-12(2)8-13(3)10-17/h8-10,14-16,18-19H,7,11H2,1-6H3
InChIKeyVQMKITVFHXXUBH-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane (CID 21362325) is 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane is CCC1OC(Cc2cc(C)cc(C)c2)C(C)C(C)C1C.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane?
The InChIKey is VQMKITVFHXXUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-7-18-15(5)14(4)16(6)19(20-18)11-17-9-12(2)8-13(3)10-17/h8-10,14-16,18-19H,7,11H2,1-6H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane?
2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane has a molecular weight of 274.45 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane is sourced from PubChem (CID 21362325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).