5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane

C15H32O2 — CID 157231841

IUPAC5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
SMILESCC(C)CCCCOCCOCCCC(C)C
InChIInChI=1S/C15H32O2/c1-14(2)8-5-6-10-16-12-13-17-11-7-9-15(3)4/h14-15H,5-13H2,1-4H3
InChIKeyVKVFIOBEFBCRBS-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.28
Rot. Bonds12

About 5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane

5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane (PubChem CID 157231841) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane.

Molecular Properties

Compound Name5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
PubChem CID157231841
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
SMILESCC(C)CCCCOCCOCCCC(C)C
InChIInChI=1S/C15H32O2/c1-14(2)8-5-6-10-16-12-13-17-11-7-9-15(3)4/h14-15H,5-13H2,1-4H3
InChIKeyVKVFIOBEFBCRBS-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
17-fluoro-1-(4-methylpentoxy)octadecane
CID 154961215
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 166678636
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
1-(6-bromohexoxy)-5-methylhexane
CID 19987541

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane?
The IUPAC name of 5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane (CID 157231841) is 5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane.
What is the SMILES notation for 5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane?
The canonical SMILES for 5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane is CC(C)CCCCOCCOCCCC(C)C.
What is the InChIKey of 5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane?
The InChIKey is VKVFIOBEFBCRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-14(2)8-5-6-10-16-12-13-17-11-7-9-15(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane?
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane has a molecular weight of 244.42 g/mol, XLogP of 4.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane is sourced from PubChem (CID 157231841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).