2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane

C32H72O3 — CID 158609051

IUPAC2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane
SMILESCC(C(C)(C)C)C(C)(C)C.CC(OC(C)(C)C)OC(C)(C)C.CCC(C)(C)C.CCOC(C)(C)C
InChIInChI=1S/C10H22O2.C10H22.C6H14O.C6H14/c1-8(11-9(2,3)4)12-10(5,6)7;1-8(9(2,3)4)10(5,6)7;1-5-7-6(2,3)4;1-5-6(2,3)4/h8H,1-7H3;8H,1-7H3;5H2,1-4H3;5H2,1-4H3
InChIKeyHWPFTVGJCZOOGL-UHFFFAOYSA-N
MW504.93 g/mol
LogP10.94
Rot. Bonds3

About 2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane

2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane (PubChem CID 158609051) has the molecular formula C32H72O3 and a molecular weight of 504.93 g/mol. Its IUPAC name is 2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane.

Molecular Properties

Compound Name2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane
PubChem CID158609051
Molecular FormulaC32H72O3
Molecular Weight504.93 g/mol
Exact Mass504.55
IUPAC Name2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane
SMILESCC(C(C)(C)C)C(C)(C)C.CC(OC(C)(C)C)OC(C)(C)C.CCC(C)(C)C.CCOC(C)(C)C
InChIInChI=1S/C10H22O2.C10H22.C6H14O.C6H14/c1-8(11-9(2,3)4)12-10(5,6)7;1-8(9(2,3)4)10(5,6)7;1-5-7-6(2,3)4;1-5-6(2,3)4/h8H,1-7H3;8H,1-7H3;5H2,1-4H3;5H2,1-4H3
InChIKeyHWPFTVGJCZOOGL-UHFFFAOYSA-N
XLogP10.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.93
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane
CID 158145131
3,3-diethoxy-2,4-dimethylpentane
CID 11788732
2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane
CID 134572813
(3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane
CID 169306113
2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 149345110
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
CID 158330539
alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane
CID 175344436
2,2-dimethylbutane;2,3-dimethylbutane;3-methylpentane
CID 159848949
2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
CID 160755411

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane?
The IUPAC name of 2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane (CID 158609051) is 2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane.
What is the SMILES notation for 2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane?
The canonical SMILES for 2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane is CC(C(C)(C)C)C(C)(C)C.CC(OC(C)(C)C)OC(C)(C)C.CCC(C)(C)C.CCOC(C)(C)C.
What is the InChIKey of 2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane?
The InChIKey is HWPFTVGJCZOOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.C10H22.C6H14O.C6H14/c1-8(11-9(2,3)4)12-10(5,6)7;1-8(9(2,3)4)10(5,6)7;1-5-7-6(2,3)4;1-5-6(2,3)4/h8H,1-7H3;8H,1-7H3;5H2,1-4H3;5H2,1-4H3.
What are the key properties of 2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane?
2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane has a molecular weight of 504.93 g/mol, XLogP of 10.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane is sourced from PubChem (CID 158609051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).