2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane

C14H30O2 — CID 18720487

IUPAC2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane
SMILESCC(C)CCC(C)COCCOCC(C)C
InChIInChI=1S/C14H30O2/c1-12(2)6-7-14(5)11-16-9-8-15-10-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyDVWXYIOIIWESRK-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.75
Rot. Bonds10

About 2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane

2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane (PubChem CID 18720487) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane.

Molecular Properties

Compound Name2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane
PubChem CID18720487
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane
SMILESCC(C)CCC(C)COCCOCC(C)C
InChIInChI=1S/C14H30O2/c1-12(2)6-7-14(5)11-16-9-8-15-10-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyDVWXYIOIIWESRK-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.75
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

1-Ethoxy-3-ethyl-5-methylhexane
CID 231562
2-(2-Methylhexoxy)ethanol
CID 22125988
Hexane, 1-(hexyloxy)-2-methyl-
CID 538287
Hexane, 1-(hexyloxy)-5-methyl-
CID 545572
1,6-Diethoxy-2,5-dimethylhexane
CID 121007544
1-(2-Methoxyethoxy)-2,5-dimethylhexane
CID 18720488
1-Methoxy-2,5-dimethylhexane
CID 18720491
1-Methoxy-5-methylhexane
CID 19736995
1-Ethoxy-2-methylhexane
CID 19991834
3-Methoxy-2-propan-2-yloxolane
CID 20664835
2-Methyl-1-(2-methylhexoxy)hexane
CID 22151657
5-Methyl-1-(5-methylhexoxy)hexane
CID 22758033

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane?
The IUPAC name of 2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane (CID 18720487) is 2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane.
What is the SMILES notation for 2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane?
The canonical SMILES for 2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane is CC(C)CCC(C)COCCOCC(C)C.
What is the InChIKey of 2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane?
The InChIKey is DVWXYIOIIWESRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-12(2)6-7-14(5)11-16-9-8-15-10-13(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of 2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane?
2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane has a molecular weight of 230.39 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[2-(2-methylpropoxy)ethoxy]hexane is sourced from PubChem (CID 18720487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).