2-methyl-1-(2-methyloctoxy)octane

C18H38O — CID 22151659

IUPAC2-methyl-1-(2-methyloctoxy)octane
SMILESCCCCCCC(C)COCC(C)CCCCCC
InChIInChI=1S/C18H38O/c1-5-7-9-11-13-17(3)15-19-16-18(4)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3
InChIKeyACOBVBQJKBCHQL-UHFFFAOYSA-N
MW270.50 g/mol
LogP6.22
Rot. Bonds14

About 2-methyl-1-(2-methyloctoxy)octane

2-methyl-1-(2-methyloctoxy)octane (PubChem CID 22151659) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 2-methyl-1-(2-methyloctoxy)octane.

Molecular Properties

Compound Name2-methyl-1-(2-methyloctoxy)octane
PubChem CID22151659
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name2-methyl-1-(2-methyloctoxy)octane
SMILESCCCCCCC(C)COCC(C)CCCCCC
InChIInChI=1S/C18H38O/c1-5-7-9-11-13-17(3)15-19-16-18(4)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3
InChIKeyACOBVBQJKBCHQL-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyloctoxy)octane?
The IUPAC name of 2-methyl-1-(2-methyloctoxy)octane (CID 22151659) is 2-methyl-1-(2-methyloctoxy)octane.
What is the SMILES notation for 2-methyl-1-(2-methyloctoxy)octane?
The canonical SMILES for 2-methyl-1-(2-methyloctoxy)octane is CCCCCCC(C)COCC(C)CCCCCC.
What is the InChIKey of 2-methyl-1-(2-methyloctoxy)octane?
The InChIKey is ACOBVBQJKBCHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-5-7-9-11-13-17(3)15-19-16-18(4)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methyloctoxy)octane?
2-methyl-1-(2-methyloctoxy)octane has a molecular weight of 270.50 g/mol, XLogP of 6.22, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyloctoxy)octane is sourced from PubChem (CID 22151659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).