2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane

C16H34O2 — CID 123352444

IUPAC2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
SMILESCC(C)CC(C)(C)OC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C16H34O2/c1-13(2)12-16(8,9)18-15(6,7)10-11-17-14(3,4)5/h13H,10-12H2,1-9H3
InChIKeyULNKOHPAZKTWBO-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.81
Rot. Bonds7

About 2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane

2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane (PubChem CID 123352444) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane.

Molecular Properties

Compound Name2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
PubChem CID123352444
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
SMILESCC(C)CC(C)(C)OC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C16H34O2/c1-13(2)12-16(8,9)18-15(6,7)10-11-17-14(3,4)5/h13H,10-12H2,1-9H3
InChIKeyULNKOHPAZKTWBO-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-bis(chloromethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexane
CID 112592527
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 138534237
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium
CID 123372545
3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 121440686
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol
CID 155178401
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite
CID 146548952
N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
CID 155034107
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
CID 88896989
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol
CID 112592507
1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol
CID 170705015
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane?
The IUPAC name of 2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane (CID 123352444) is 2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane.
What is the SMILES notation for 2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane?
The canonical SMILES for 2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane is CC(C)CC(C)(C)OC(C)(C)CCOC(C)(C)C.
What is the InChIKey of 2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane?
The InChIKey is ULNKOHPAZKTWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-13(2)12-16(8,9)18-15(6,7)10-11-17-14(3,4)5/h13H,10-12H2,1-9H3.
What are the key properties of 2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane?
2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane has a molecular weight of 258.45 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane is sourced from PubChem (CID 123352444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).