4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane

C13H28O2 — CID 88972268

IUPAC4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane
SMILESCC(C)OCCCC(C)(C)OC(C)(C)C
InChIInChI=1S/C13H28O2/c1-11(2)14-10-8-9-13(6,7)15-12(3,4)5/h11H,8-10H2,1-7H3
InChIKeyXTTVBAFLBVFNRJ-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.79
Rot. Bonds6

About 4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane

4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane (PubChem CID 88972268) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane.

Molecular Properties

Compound Name4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane
PubChem CID88972268
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane
SMILESCC(C)OCCCC(C)(C)OC(C)(C)C
InChIInChI=1S/C13H28O2/c1-11(2)14-10-8-9-13(6,7)15-12(3,4)5/h11H,8-10H2,1-7H3
InChIKeyXTTVBAFLBVFNRJ-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.79
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

methyl 2,2-dimethyl-5-propan-2-yloxypentanoate
CID 59323556
[2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane
CID 138550282
1,6-di(propan-2-yloxy)hexane
CID 10899702
(2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate
CID 166750043
4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane
CID 176777068
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
2,2-dimethyl-5-propan-2-yloxypentanimidamide
CID 65258548
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107444739
2-methyl-N-[3-(3-propan-2-yloxypropoxy)propyl]propan-2-amine
CID 166769035
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane?
The IUPAC name of 4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane (CID 88972268) is 4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane.
What is the SMILES notation for 4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane?
The canonical SMILES for 4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane is CC(C)OCCCC(C)(C)OC(C)(C)C.
What is the InChIKey of 4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane?
The InChIKey is XTTVBAFLBVFNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-11(2)14-10-8-9-13(6,7)15-12(3,4)5/h11H,8-10H2,1-7H3.
What are the key properties of 4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane?
4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane has a molecular weight of 216.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane is sourced from PubChem (CID 88972268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).