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

C16H34O3 — CID 176614157

IUPAC1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
SMILESCC(C)(C)CCOCCOCCCOCC(C)(C)C
InChIInChI=1S/C16H34O3/c1-15(2,3)8-11-18-13-12-17-9-7-10-19-14-16(4,5)6/h7-14H2,1-6H3
InChIKeyCBHRSXZNWWDUBE-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.91
Rot. Bonds10

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

1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane (PubChem CID 176614157) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane.

Molecular Properties

Compound Name1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
PubChem CID176614157
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
SMILESCC(C)(C)CCOCCOCCCOCC(C)(C)C
InChIInChI=1S/C16H34O3/c1-15(2,3)8-11-18-13-12-17-9-7-10-19-14-16(4,5)6/h7-14H2,1-6H3
InChIKeyCBHRSXZNWWDUBE-UHFFFAOYSA-N
XLogP3.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.91
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-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
CID 131972641
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-(3,3-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-dimethylpropoxy)ethoxy]hexadecane
CID 175012315
1-[3-(2,2-dimethylpropoxy)propoxy]hexane
CID 166789205
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-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane?
The IUPAC name of 1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane (CID 176614157) is 1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane.
What is the SMILES notation for 1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane?
The canonical SMILES for 1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane is CC(C)(C)CCOCCOCCCOCC(C)(C)C.
What is the InChIKey of 1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane?
The InChIKey is CBHRSXZNWWDUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-15(2,3)8-11-18-13-12-17-9-7-10-19-14-16(4,5)6/h7-14H2,1-6H3.
What are the key properties of 1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane?
1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane has a molecular weight of 274.44 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane is sourced from PubChem (CID 176614157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).