2-methyl-1-(1-octoxypropan-2-yloxy)decane

C22H46O2 — CID 23399371

IUPAC2-methyl-1-(1-octoxypropan-2-yloxy)decane
SMILESCCCCCCCCOCC(C)OCC(C)CCCCCCCC
InChIInChI=1S/C22H46O2/c1-5-7-9-11-13-15-17-21(3)19-24-22(4)20-23-18-16-14-12-10-8-6-2/h21-22H,5-20H2,1-4H3
InChIKeyXMZDWVGPIGBOGD-UHFFFAOYSA-N
MW342.61 g/mol
LogP7.16
Rot. Bonds19

About 2-methyl-1-(1-octoxypropan-2-yloxy)decane

2-methyl-1-(1-octoxypropan-2-yloxy)decane (PubChem CID 23399371) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is 2-methyl-1-(1-octoxypropan-2-yloxy)decane.

Molecular Properties

Compound Name2-methyl-1-(1-octoxypropan-2-yloxy)decane
PubChem CID23399371
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Name2-methyl-1-(1-octoxypropan-2-yloxy)decane
SMILESCCCCCCCCOCC(C)OCC(C)CCCCCCCC
InChIInChI=1S/C22H46O2/c1-5-7-9-11-13-15-17-21(3)19-24-22(4)20-23-18-16-14-12-10-8-6-2/h21-22H,5-20H2,1-4H3
InChIKeyXMZDWVGPIGBOGD-UHFFFAOYSA-N
XLogP7.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 57.16
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-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-(2-hexoxypropoxy)hexane
CID 71353992
1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175
1-(2-propoxypropoxy)pentane
CID 22002926
1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 90302179
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine
CID 159032271
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
2-(3-methoxy-2-methylpropoxy)undecane
CID 89261106
1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-octoxypropan-2-yloxy)decane?
The IUPAC name of 2-methyl-1-(1-octoxypropan-2-yloxy)decane (CID 23399371) is 2-methyl-1-(1-octoxypropan-2-yloxy)decane.
What is the SMILES notation for 2-methyl-1-(1-octoxypropan-2-yloxy)decane?
The canonical SMILES for 2-methyl-1-(1-octoxypropan-2-yloxy)decane is CCCCCCCCOCC(C)OCC(C)CCCCCCCC.
What is the InChIKey of 2-methyl-1-(1-octoxypropan-2-yloxy)decane?
The InChIKey is XMZDWVGPIGBOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2/c1-5-7-9-11-13-15-17-21(3)19-24-22(4)20-23-18-16-14-12-10-8-6-2/h21-22H,5-20H2,1-4H3.
What are the key properties of 2-methyl-1-(1-octoxypropan-2-yloxy)decane?
2-methyl-1-(1-octoxypropan-2-yloxy)decane has a molecular weight of 342.61 g/mol, XLogP of 7.16, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-octoxypropan-2-yloxy)decane is sourced from PubChem (CID 23399371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).