4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane

C18H38O — CID 88745272

IUPAC4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane
SMILESCCC(C)(COCC(C)(CC)CC(C)C)CC(C)C
InChIInChI=1S/C18H38O/c1-9-17(7,11-15(3)4)13-19-14-18(8,10-2)12-16(5)6/h15-16H,9-14H2,1-8H3
InChIKeyMEWRWOHKDKTNRU-UHFFFAOYSA-N
MW270.50 g/mol
LogP5.93
Rot. Bonds10

About 4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane

4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane (PubChem CID 88745272) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane.

Molecular Properties

Compound Name4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane
PubChem CID88745272
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane
SMILESCCC(C)(COCC(C)(CC)CC(C)C)CC(C)C
InChIInChI=1S/C18H38O/c1-9-17(7,11-15(3)4)13-19-14-18(8,10-2)12-16(5)6/h15-16H,9-14H2,1-8H3
InChIKeyMEWRWOHKDKTNRU-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane?
The IUPAC name of 4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane (CID 88745272) is 4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane.
What is the SMILES notation for 4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane?
The canonical SMILES for 4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane is CCC(C)(COCC(C)(CC)CC(C)C)CC(C)C.
What is the InChIKey of 4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane?
The InChIKey is MEWRWOHKDKTNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-9-17(7,11-15(3)4)13-19-14-18(8,10-2)12-16(5)6/h15-16H,9-14H2,1-8H3.
What are the key properties of 4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane?
4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane has a molecular weight of 270.50 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane is sourced from PubChem (CID 88745272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).