2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane

C17H36O3 — CID 164583763

IUPAC2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane
SMILESCCCOCC(C)OCC(C)OC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H36O3/c1-9-10-18-11-14(2)19-12-15(3)20-17(7,8)13-16(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyAOTYDVJXRHYXNC-UHFFFAOYSA-N
MW288.47 g/mol
LogP4.44
Rot. Bonds10

About 2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane

2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane (PubChem CID 164583763) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane.

Molecular Properties

Compound Name2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane
PubChem CID164583763
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane
SMILESCCCOCC(C)OCC(C)OC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H36O3/c1-9-10-18-11-14(2)19-12-15(3)20-17(7,8)13-16(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyAOTYDVJXRHYXNC-UHFFFAOYSA-N
XLogP4.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine
CID 130252040
2-methyl-2-[1-(2-propoxyethoxy)propan-2-yloxy]propane
CID 121485807
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
1-(1-propoxypropan-2-yloxy)propan-2-yl dihydrogen phosphate
CID 139834702
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-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate
CID 20554752
3-(2,4,4-trimethylpentan-2-yloxy)butan-1-ol
CID 130392369
1-(2-propoxypropoxy)pentane
CID 22002926

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane?
The IUPAC name of 2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane (CID 164583763) is 2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane.
What is the SMILES notation for 2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane?
The canonical SMILES for 2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane is CCCOCC(C)OCC(C)OC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane?
The InChIKey is AOTYDVJXRHYXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3/c1-9-10-18-11-14(2)19-12-15(3)20-17(7,8)13-16(4,5)6/h14-15H,9-13H2,1-8H3.
What are the key properties of 2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane?
2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane has a molecular weight of 288.47 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]pentane is sourced from PubChem (CID 164583763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).