4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne

C16H30O3 — CID 165380005

IUPAC4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne
SMILESCC(COCCOC(C)(C)C)OCC#CC(C)(C)C
InChIInChI=1S/C16H30O3/c1-14(18-10-8-9-15(2,3)4)13-17-11-12-19-16(5,6)7/h14H,10-13H2,1-7H3
InChIKeyAJKISXJKZMOCDS-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.27
Rot. Bonds7

About 4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne

4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne (PubChem CID 165380005) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne.

Molecular Properties

Compound Name4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne
PubChem CID165380005
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne
SMILESCC(COCCOC(C)(C)C)OCC#CC(C)(C)C
InChIInChI=1S/C16H30O3/c1-14(18-10-8-9-15(2,3)4)13-17-11-12-19-16(5,6)7/h14H,10-13H2,1-7H3
InChIKeyAJKISXJKZMOCDS-UHFFFAOYSA-N
XLogP3.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
CID 112587518
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
1-[(2-methylpropan-2-yl)oxy]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-ol
CID 155627567
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
CID 162034273
1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pent-2-yne
CID 164933181
2-methyl-1-[1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propan-2-yloxy]propane
CID 58121620
4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide
CID 166497237
3-[(2-methylpropan-2-yl)oxy]-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butane
CID 155769092
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine
CID 112587358
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 90381386

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne?
The IUPAC name of 4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne (CID 165380005) is 4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne.
What is the SMILES notation for 4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne?
The canonical SMILES for 4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne is CC(COCCOC(C)(C)C)OCC#CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne?
The InChIKey is AJKISXJKZMOCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-14(18-10-8-9-15(2,3)4)13-17-11-12-19-16(5,6)7/h14H,10-13H2,1-7H3.
What are the key properties of 4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne?
4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne has a molecular weight of 270.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne is sourced from PubChem (CID 165380005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).