7-methyl-1-(2-methylpropoxy)octane

C13H28O — CID 23222552

IUPAC7-methyl-1-(2-methylpropoxy)octane
SMILESCC(C)CCCCCCOCC(C)C
InChIInChI=1S/C13H28O/c1-12(2)9-7-5-6-8-10-14-11-13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyFORUXJDGVFPXKK-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.27
Rot. Bonds9

About 7-methyl-1-(2-methylpropoxy)octane

7-methyl-1-(2-methylpropoxy)octane (PubChem CID 23222552) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 7-methyl-1-(2-methylpropoxy)octane.

Molecular Properties

Compound Name7-methyl-1-(2-methylpropoxy)octane
PubChem CID23222552
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name7-methyl-1-(2-methylpropoxy)octane
SMILESCC(C)CCCCCCOCC(C)C
InChIInChI=1S/C13H28O/c1-12(2)9-7-5-6-8-10-14-11-13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyFORUXJDGVFPXKK-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.27
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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Related Compounds

6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
1-ethoxy-17-methyloctadecane
CID 91042875
2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane
CID 158163222
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
7-methyloctyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 140909679

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-methylpropoxy)octane?
The IUPAC name of 7-methyl-1-(2-methylpropoxy)octane (CID 23222552) is 7-methyl-1-(2-methylpropoxy)octane.
What is the SMILES notation for 7-methyl-1-(2-methylpropoxy)octane?
The canonical SMILES for 7-methyl-1-(2-methylpropoxy)octane is CC(C)CCCCCCOCC(C)C.
What is the InChIKey of 7-methyl-1-(2-methylpropoxy)octane?
The InChIKey is FORUXJDGVFPXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-12(2)9-7-5-6-8-10-14-11-13(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 7-methyl-1-(2-methylpropoxy)octane?
7-methyl-1-(2-methylpropoxy)octane has a molecular weight of 200.37 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-methylpropoxy)octane is sourced from PubChem (CID 23222552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).