2-methoxy-2,6-dimethyloctane

C11H24O — CID 20647243

IUPAC2-methoxy-2,6-dimethyloctane
SMILESCCC(C)CCCC(C)(C)OC
InChIInChI=1S/C11H24O/c1-6-10(2)8-7-9-11(3,4)12-5/h10H,6-9H2,1-5H3
InChIKeyYQWIGVZLRVBLJM-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds6

About 2-methoxy-2,6-dimethyloctane

2-methoxy-2,6-dimethyloctane (PubChem CID 20647243) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2-methoxy-2,6-dimethyloctane.

Molecular Properties

Compound Name2-methoxy-2,6-dimethyloctane
PubChem CID20647243
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2-methoxy-2,6-dimethyloctane
SMILESCCC(C)CCCC(C)(C)OC
InChIInChI=1S/C11H24O/c1-6-10(2)8-7-9-11(3,4)12-5/h10H,6-9H2,1-5H3
InChIKeyYQWIGVZLRVBLJM-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,6-dimethyloctane?
The IUPAC name of 2-methoxy-2,6-dimethyloctane (CID 20647243) is 2-methoxy-2,6-dimethyloctane.
What is the SMILES notation for 2-methoxy-2,6-dimethyloctane?
The canonical SMILES for 2-methoxy-2,6-dimethyloctane is CCC(C)CCCC(C)(C)OC.
What is the InChIKey of 2-methoxy-2,6-dimethyloctane?
The InChIKey is YQWIGVZLRVBLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-10(2)8-7-9-11(3,4)12-5/h10H,6-9H2,1-5H3.
What are the key properties of 2-methoxy-2,6-dimethyloctane?
2-methoxy-2,6-dimethyloctane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,6-dimethyloctane is sourced from PubChem (CID 20647243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).