3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane

C10H22O — CID 546092

IUPAC3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C10H22O/c1-9(2,3)7-8-11-10(4,5)6/h7-8H2,1-6H3
InChIKeyDGZYZEOJFVHACS-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds2

About 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane

3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 546092) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
PubChem CID546092
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C10H22O/c1-9(2,3)7-8-11-10(4,5)6/h7-8H2,1-6H3
InChIKeyDGZYZEOJFVHACS-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 89254911
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
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
2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
CID 90988843
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol
CID 123870350
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
CID 88896989
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
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
3,3-bis(chloromethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexane
CID 112592527
2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 123352444

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane (CID 546092) is 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane is CC(C)(C)CCOC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is DGZYZEOJFVHACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-9(2,3)7-8-11-10(4,5)6/h7-8H2,1-6H3.
What are the key properties of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane?
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 546092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).