2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane

C27H60O3 — CID 161233705

IUPAC2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane
SMILESCCCC(C)(C)C.CCCOCCC(C)(C)C.CCCOCCOCCC(C)(C)C
InChIInChI=1S/C11H24O2.C9H20O.C7H16/c1-5-7-12-9-10-13-8-6-11(2,3)4;1-5-7-10-8-6-9(2,3)4;1-5-6-7(2,3)4/h5-10H2,1-4H3;5-8H2,1-4H3;5-6H2,1-4H3
InChIKeyUZBZNESJZNHBSX-UHFFFAOYSA-N
MW432.77 g/mol
LogP8.55
Rot. Bonds12

About 2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane

2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane (PubChem CID 161233705) has the molecular formula C27H60O3 and a molecular weight of 432.77 g/mol. Its IUPAC name is 2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane.

Molecular Properties

Compound Name2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane
PubChem CID161233705
Molecular FormulaC27H60O3
Molecular Weight432.77 g/mol
Exact Mass432.45
IUPAC Name2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane
SMILESCCCC(C)(C)C.CCCOCCC(C)(C)C.CCCOCCOCCC(C)(C)C
InChIInChI=1S/C11H24O2.C9H20O.C7H16/c1-5-7-12-9-10-13-8-6-11(2,3)4;1-5-7-10-8-6-9(2,3)4;1-5-6-7(2,3)4/h5-10H2,1-4H3;5-8H2,1-4H3;5-6H2,1-4H3
InChIKeyUZBZNESJZNHBSX-UHFFFAOYSA-N
XLogP8.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.77
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane
CID 58160227
3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 153436884
3,3-difluoro-1-propoxybutane
CID 118261285
bis(2,2-dimethylpentane);methane
CID 159859974
1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
CID 176614157
1-(3,3-dimethylbutoxy)-3,7,11,15-tetramethyloctadecane
CID 126578390
2-methyl-2-[2-(2-propoxyethoxy)ethoxy]propane
CID 87735391
2,2-dimethyl-4-propoxybutan-1-amine
CID 65248577
2-methyl-1-propoxypentan-2-ol
CID 80558596
1-(3-bromo-2,2-dimethylpropoxy)-3,3-dimethylbutane
CID 66234059

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane?
The IUPAC name of 2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane (CID 161233705) is 2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane.
What is the SMILES notation for 2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane?
The canonical SMILES for 2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane is CCCC(C)(C)C.CCCOCCC(C)(C)C.CCCOCCOCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane?
The InChIKey is UZBZNESJZNHBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2.C9H20O.C7H16/c1-5-7-12-9-10-13-8-6-11(2,3)4;1-5-7-10-8-6-9(2,3)4;1-5-6-7(2,3)4/h5-10H2,1-4H3;5-8H2,1-4H3;5-6H2,1-4H3.
What are the key properties of 2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane?
2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane has a molecular weight of 432.77 g/mol, XLogP of 8.55, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane is sourced from PubChem (CID 161233705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).