ethane;3-ethyl-5-(methoxymethyl)oxane

C11H24O2 — CID 145297399

IUPACethane;3-ethyl-5-(methoxymethyl)oxane
SMILESCC.CCC1COCC(COC)C1
InChIInChI=1S/C9H18O2.C2H6/c1-3-8-4-9(5-10-2)7-11-6-8;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyLRYBAXDUEPTLOW-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.72
Rot. Bonds3

About ethane;3-ethyl-5-(methoxymethyl)oxane

ethane;3-ethyl-5-(methoxymethyl)oxane (PubChem CID 145297399) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is ethane;3-ethyl-5-(methoxymethyl)oxane.

Molecular Properties

Compound Nameethane;3-ethyl-5-(methoxymethyl)oxane
PubChem CID145297399
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Nameethane;3-ethyl-5-(methoxymethyl)oxane
SMILESCC.CCC1COCC(COC)C1
InChIInChI=1S/C9H18O2.C2H6/c1-3-8-4-9(5-10-2)7-11-6-8;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyLRYBAXDUEPTLOW-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Ethoxymethyl)oxane
CID 17804069
3,5-Diethyloxane
CID 18783518
4-Butan-2-yloxane
CID 20456527
3,4-Diethyloxane
CID 21354353
4-Propyloxane
CID 21482443
3-Ethyl-3-(2-ethylhexoxymethyl)oxane
CID 22556148
4-(2-Methylpropyl)oxane
CID 22923698
3-Ethyl-4-propan-2-yloxane
CID 22975330
3-(3-Propoxypropoxymethyl)heptane
CID 23064830
1-Methoxy-4-(methoxymethyl)hexane
CID 53828823
3-Ethyl-4-hexoxyoxane
CID 53875619
3-(Propan-2-yloxymethyl)oxane
CID 54282829

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5-(methoxymethyl)oxane?
The IUPAC name of ethane;3-ethyl-5-(methoxymethyl)oxane (CID 145297399) is ethane;3-ethyl-5-(methoxymethyl)oxane.
What is the SMILES notation for ethane;3-ethyl-5-(methoxymethyl)oxane?
The canonical SMILES for ethane;3-ethyl-5-(methoxymethyl)oxane is CC.CCC1COCC(COC)C1.
What is the InChIKey of ethane;3-ethyl-5-(methoxymethyl)oxane?
The InChIKey is LRYBAXDUEPTLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C2H6/c1-3-8-4-9(5-10-2)7-11-6-8;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-5-(methoxymethyl)oxane?
ethane;3-ethyl-5-(methoxymethyl)oxane has a molecular weight of 188.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5-(methoxymethyl)oxane is sourced from PubChem (CID 145297399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).