ethane;4-ethoxy-4-methyloxane

C10H22O2 — CID 143599120

IUPACethane;4-ethoxy-4-methyloxane
SMILESCC.CCOC1(C)CCOCC1
InChIInChI=1S/C8H16O2.C2H6/c1-3-10-8(2)4-6-9-7-5-8;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyBOXILXVXSOXTLU-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.62
Rot. Bonds2

About ethane;4-ethoxy-4-methyloxane

ethane;4-ethoxy-4-methyloxane (PubChem CID 143599120) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is ethane;4-ethoxy-4-methyloxane.

Molecular Properties

Compound Nameethane;4-ethoxy-4-methyloxane
PubChem CID143599120
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Nameethane;4-ethoxy-4-methyloxane
SMILESCC.CCOC1(C)CCOCC1
InChIInChI=1S/C8H16O2.C2H6/c1-3-10-8(2)4-6-9-7-5-8;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyBOXILXVXSOXTLU-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethynyl-4-methoxyoxane
CID 59774890
2,2-Diethyl-1,4-dioxane
CID 20316221
4-Fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 166503861
4-Methoxy-4-methyloxane
CID 21025768
4-[(2-Methylpropan-2-yl)oxy]oxane
CID 21137114
4-Ethoxy-4-propan-2-yloxane
CID 57762483
4-Methoxy-4-propan-2-yloxane
CID 57762499
3-Ethyl-3-pentoxypentane
CID 57973173
4-Propan-2-yl-4-propan-2-yloxyoxane
CID 58258734
4-(2,3,3-Trimethylbutan-2-yloxy)oxane
CID 58374204
4-Methyl-4-(2,3,3-trimethylbutan-2-yloxymethyl)oxane
CID 58374262
CID 58450252
CID 58450252

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-4-methyloxane?
The IUPAC name of ethane;4-ethoxy-4-methyloxane (CID 143599120) is ethane;4-ethoxy-4-methyloxane.
What is the SMILES notation for ethane;4-ethoxy-4-methyloxane?
The canonical SMILES for ethane;4-ethoxy-4-methyloxane is CC.CCOC1(C)CCOCC1.
What is the InChIKey of ethane;4-ethoxy-4-methyloxane?
The InChIKey is BOXILXVXSOXTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H6/c1-3-10-8(2)4-6-9-7-5-8;1-2/h3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethoxy-4-methyloxane?
ethane;4-ethoxy-4-methyloxane has a molecular weight of 174.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-4-methyloxane is sourced from PubChem (CID 143599120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).