2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)

C66H150O3 — CID 161459910

IUPAC2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.COC(C)(C)C.COC(C)(C)OC
InChIInChI=1S/2C11H24.3C8H18.C5H12O2.C5H12O.2C5H12/c2*1-9(2,3)11(7,8)10(4,5)6;3*1-7(2,3)8(4,5)6;1-5(2,6-3)7-4;1-5(2,3)6-4;2*1-5(2,3)4/h2*1-8H3;3*1-6H3;1-4H3;1-4H3;2*1-4H3
InChIKeyWBQUQZDIJFMXMI-UHFFFAOYSA-N
MW991.92 g/mol
LogP24.00
Rot. Bonds2

About 2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)

2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane) (PubChem CID 161459910) has the molecular formula C66H150O3 and a molecular weight of 991.92 g/mol. Its IUPAC name is 2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane).

Molecular Properties

Compound Name2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)
PubChem CID161459910
Molecular FormulaC66H150O3
Molecular Weight991.92 g/mol
Exact Mass991.16
IUPAC Name2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.COC(C)(C)C.COC(C)(C)OC
InChIInChI=1S/2C11H24.3C8H18.C5H12O2.C5H12O.2C5H12/c2*1-9(2,3)11(7,8)10(4,5)6;3*1-7(2,3)8(4,5)6;1-5(2,6-3)7-4;1-5(2,3)6-4;2*1-5(2,3)4/h2*1-8H3;3*1-6H3;1-4H3;1-4H3;2*1-4H3
InChIKeyWBQUQZDIJFMXMI-UHFFFAOYSA-N
XLogP24.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.92
LogP ≤ 524.00
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)?
The IUPAC name of 2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane) (CID 161459910) is 2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane).
What is the SMILES notation for 2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)?
The canonical SMILES for 2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.COC(C)(C)C.COC(C)(C)OC.
What is the InChIKey of 2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)?
The InChIKey is WBQUQZDIJFMXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H24.3C8H18.C5H12O2.C5H12O.2C5H12/c2*1-9(2,3)11(7,8)10(4,5)6;3*1-7(2,3)8(4,5)6;1-5(2,6-3)7-4;1-5(2,3)6-4;2*1-5(2,3)4/h2*1-8H3;3*1-6H3;1-4H3;1-4H3;2*1-4H3.
What are the key properties of 2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)?
2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane) has a molecular weight of 991.92 g/mol, XLogP of 24.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane) is sourced from PubChem (CID 161459910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).