ethane;1-ethoxy-2,2-dimethylpropane

C9H22O — CID 155734553

IUPACethane;1-ethoxy-2,2-dimethylpropane
SMILESCC.CCOCC(C)(C)C
InChIInChI=1S/C7H16O.C2H6/c1-5-8-6-7(2,3)4;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyVUBNXCBFTTZSMI-UHFFFAOYSA-N
MW146.27 g/mol
LogP3.10
Rot. Bonds2

About ethane;1-ethoxy-2,2-dimethylpropane

ethane;1-ethoxy-2,2-dimethylpropane (PubChem CID 155734553) has the molecular formula C9H22O and a molecular weight of 146.27 g/mol. Its IUPAC name is ethane;1-ethoxy-2,2-dimethylpropane.

Molecular Properties

Compound Nameethane;1-ethoxy-2,2-dimethylpropane
PubChem CID155734553
Molecular FormulaC9H22O
Molecular Weight146.27 g/mol
Exact Mass146.17
IUPAC Nameethane;1-ethoxy-2,2-dimethylpropane
SMILESCC.CCOCC(C)(C)C
InChIInChI=1S/C7H16O.C2H6/c1-5-8-6-7(2,3)4;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyVUBNXCBFTTZSMI-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane
CID 158145131
1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane
CID 58571431
2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane
CID 158438314
magnesium;2-chloro-1-ethoxy-2-methylpropane;hydride
CID 173086358
3-ethoxy-2,2-dimethylpropan-1-ol
CID 12698285
1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane
CID 103985337
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
3-ethoxy-N,N,2,2-tetramethylpropan-1-amine
CID 90227656
3-ethoxy-2,2-dimethylpropanoyl chloride
CID 14459646
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxy-2,2-dimethylpropane?
The IUPAC name of ethane;1-ethoxy-2,2-dimethylpropane (CID 155734553) is ethane;1-ethoxy-2,2-dimethylpropane.
What is the SMILES notation for ethane;1-ethoxy-2,2-dimethylpropane?
The canonical SMILES for ethane;1-ethoxy-2,2-dimethylpropane is CC.CCOCC(C)(C)C.
What is the InChIKey of ethane;1-ethoxy-2,2-dimethylpropane?
The InChIKey is VUBNXCBFTTZSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C2H6/c1-5-8-6-7(2,3)4;1-2/h5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;1-ethoxy-2,2-dimethylpropane?
ethane;1-ethoxy-2,2-dimethylpropane has a molecular weight of 146.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-2,2-dimethylpropane is sourced from PubChem (CID 155734553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).