3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane

C17H36O — CID 89254911

IUPAC3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane
SMILESCCC(CC)(CCOC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C17H36O/c1-9-17(10-2,12-11-15(3,4)5)13-14-18-16(6,7)8/h9-14H2,1-8H3
InChIKeyKWMZDSKAQXHMRY-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.82
Rot. Bonds7

About 3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane

3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane (PubChem CID 89254911) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane.

Molecular Properties

Compound Name3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane
PubChem CID89254911
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane
SMILESCCC(CC)(CCOC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C17H36O/c1-9-17(10-2,12-11-15(3,4)5)13-14-18-16(6,7)8/h9-14H2,1-8H3
InChIKeyKWMZDSKAQXHMRY-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591457
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
3-(chloromethyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 112592393
2-ethyl-N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 112591499
1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
CID 89254988
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
CID 112591502
2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
CID 90988843
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 153436884
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 115943404
3,3-bis(chloromethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexane
CID 112592527

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane?
The IUPAC name of 3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane (CID 89254911) is 3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane.
What is the SMILES notation for 3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane?
The canonical SMILES for 3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane is CCC(CC)(CCOC(C)(C)C)CCC(C)(C)C.
What is the InChIKey of 3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane?
The InChIKey is KWMZDSKAQXHMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-9-17(10-2,12-11-15(3,4)5)13-14-18-16(6,7)8/h9-14H2,1-8H3.
What are the key properties of 3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane?
3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane has a molecular weight of 256.47 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane is sourced from PubChem (CID 89254911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).