1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane

C19H40O5 — CID 131972620

IUPAC1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
SMILESCC(C)(C)CCOCCOCCOCCOCCOCC(C)(C)C
InChIInChI=1S/C19H40O5/c1-18(2,3)7-8-20-9-10-21-11-12-22-13-14-23-15-16-24-17-19(4,5)6/h7-17H2,1-6H3
InChIKeyJYKYSMZBAYXMBG-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.55
Rot. Bonds15

About 1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane

1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane (PubChem CID 131972620) has the molecular formula C19H40O5 and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
PubChem CID131972620
Molecular FormulaC19H40O5
Molecular Weight348.52 g/mol
Exact Mass348.29
IUPAC Name1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
SMILESCC(C)(C)CCOCCOCCOCCOCCOCC(C)(C)C
InChIInChI=1S/C19H40O5/c1-18(2,3)7-8-20-9-10-21-11-12-22-13-14-23-15-16-24-17-19(4,5)6/h7-17H2,1-6H3
InChIKeyJYKYSMZBAYXMBG-UHFFFAOYSA-N
XLogP3.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
CID 176614157
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-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
CID 131972641
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
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
CID 64537370
1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane
CID 162057209
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane
CID 161233705
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
1-(3-bromo-2,2-dimethylpropoxy)-3,3-dimethylbutane
CID 66234059
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane?
The IUPAC name of 1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane (CID 131972620) is 1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane.
What is the SMILES notation for 1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane?
The canonical SMILES for 1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane is CC(C)(C)CCOCCOCCOCCOCCOCC(C)(C)C.
What is the InChIKey of 1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane?
The InChIKey is JYKYSMZBAYXMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5/c1-18(2,3)7-8-20-9-10-21-11-12-22-13-14-23-15-16-24-17-19(4,5)6/h7-17H2,1-6H3.
What are the key properties of 1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane?
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane has a molecular weight of 348.52 g/mol, XLogP of 3.55, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane is sourced from PubChem (CID 131972620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).