1-methoxy-2,2,4,4-tetramethylhexane

C11H24O — CID 20829019

IUPAC1-methoxy-2,2,4,4-tetramethylhexane
SMILESCCC(C)(C)CC(C)(C)COC
InChIInChI=1S/C11H24O/c1-7-10(2,3)8-11(4,5)9-12-6/h7-9H2,1-6H3
InChIKeyYASGALJMAXUURT-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.49
Rot. Bonds5

About 1-methoxy-2,2,4,4-tetramethylhexane

1-methoxy-2,2,4,4-tetramethylhexane (PubChem CID 20829019) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 1-methoxy-2,2,4,4-tetramethylhexane.

Molecular Properties

Compound Name1-methoxy-2,2,4,4-tetramethylhexane
PubChem CID20829019
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name1-methoxy-2,2,4,4-tetramethylhexane
SMILESCCC(C)(C)CC(C)(C)COC
InChIInChI=1S/C11H24O/c1-7-10(2,3)8-11(4,5)9-12-6/h7-9H2,1-6H3
InChIKeyYASGALJMAXUURT-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2,4,4-tetramethylhexane?
The IUPAC name of 1-methoxy-2,2,4,4-tetramethylhexane (CID 20829019) is 1-methoxy-2,2,4,4-tetramethylhexane.
What is the SMILES notation for 1-methoxy-2,2,4,4-tetramethylhexane?
The canonical SMILES for 1-methoxy-2,2,4,4-tetramethylhexane is CCC(C)(C)CC(C)(C)COC.
What is the InChIKey of 1-methoxy-2,2,4,4-tetramethylhexane?
The InChIKey is YASGALJMAXUURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-7-10(2,3)8-11(4,5)9-12-6/h7-9H2,1-6H3.
What are the key properties of 1-methoxy-2,2,4,4-tetramethylhexane?
1-methoxy-2,2,4,4-tetramethylhexane has a molecular weight of 172.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2,4,4-tetramethylhexane is sourced from PubChem (CID 20829019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).