ethane;4-ethyl-4-(methoxymethyl)oxane

C11H24O2 — CID 144557076

IUPACethane;4-ethyl-4-(methoxymethyl)oxane
SMILESCC.CCC1(COC)CCOCC1
InChIInChI=1S/C9H18O2.C2H6/c1-3-9(8-10-2)4-6-11-7-5-9;1-2/h3-8H2,1-2H3;1-2H3
InChIKeyKIIXVFORHUJCHK-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.87
Rot. Bonds3

About ethane;4-ethyl-4-(methoxymethyl)oxane

ethane;4-ethyl-4-(methoxymethyl)oxane (PubChem CID 144557076) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is ethane;4-ethyl-4-(methoxymethyl)oxane.

Molecular Properties

Compound Nameethane;4-ethyl-4-(methoxymethyl)oxane
PubChem CID144557076
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Nameethane;4-ethyl-4-(methoxymethyl)oxane
SMILESCC.CCC1(COC)CCOCC1
InChIInChI=1S/C9H18O2.C2H6/c1-3-9(8-10-2)4-6-11-7-5-9;1-2/h3-8H2,1-2H3;1-2H3
InChIKeyKIIXVFORHUJCHK-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
ethane;(4-ethyloxan-4-yl)methanol
CID 143573647
4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
[3-(methoxymethyl)oxolan-3-yl]methanamine
CID 83904977
4-ethyl-4-propyloxane
CID 142221834
2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 122082719
3-ethyl-3-(methoxymethyl)oxetane;3-(methoxymethyl)-3-methyloxetane
CID 159055138
4-butyl-4-ethyloxane
CID 89395620
4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
ethane;4-ethoxy-4-methyloxane
CID 143599120
N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
2-methoxy-N-[[3-(methoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 103984642

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-4-(methoxymethyl)oxane?
The IUPAC name of ethane;4-ethyl-4-(methoxymethyl)oxane (CID 144557076) is ethane;4-ethyl-4-(methoxymethyl)oxane.
What is the SMILES notation for ethane;4-ethyl-4-(methoxymethyl)oxane?
The canonical SMILES for ethane;4-ethyl-4-(methoxymethyl)oxane is CC.CCC1(COC)CCOCC1.
What is the InChIKey of ethane;4-ethyl-4-(methoxymethyl)oxane?
The InChIKey is KIIXVFORHUJCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C2H6/c1-3-9(8-10-2)4-6-11-7-5-9;1-2/h3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethyl-4-(methoxymethyl)oxane?
ethane;4-ethyl-4-(methoxymethyl)oxane has a molecular weight of 188.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-4-(methoxymethyl)oxane is sourced from PubChem (CID 144557076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).