4-(1-ethoxyethyl)-4-methyloxane

C10H20O2 — CID 155428832

IUPAC4-(1-ethoxyethyl)-4-methyloxane
SMILESCCOC(C)C1(C)CCOCC1
InChIInChI=1S/C10H20O2/c1-4-12-9(2)10(3)5-7-11-8-6-10/h9H,4-8H2,1-3H3
InChIKeyRCCCQVJYHFBZFA-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds3

About 4-(1-ethoxyethyl)-4-methyloxane

4-(1-ethoxyethyl)-4-methyloxane (PubChem CID 155428832) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(1-ethoxyethyl)-4-methyloxane.

Molecular Properties

Compound Name4-(1-ethoxyethyl)-4-methyloxane
PubChem CID155428832
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-(1-ethoxyethyl)-4-methyloxane
SMILESCCOC(C)C1(C)CCOCC1
InChIInChI=1S/C10H20O2/c1-4-12-9(2)10(3)5-7-11-8-6-10/h9H,4-8H2,1-3H3
InChIKeyRCCCQVJYHFBZFA-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethyl)-4-methyloxane?
The IUPAC name of 4-(1-ethoxyethyl)-4-methyloxane (CID 155428832) is 4-(1-ethoxyethyl)-4-methyloxane.
What is the SMILES notation for 4-(1-ethoxyethyl)-4-methyloxane?
The canonical SMILES for 4-(1-ethoxyethyl)-4-methyloxane is CCOC(C)C1(C)CCOCC1.
What is the InChIKey of 4-(1-ethoxyethyl)-4-methyloxane?
The InChIKey is RCCCQVJYHFBZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-12-9(2)10(3)5-7-11-8-6-10/h9H,4-8H2,1-3H3.
What are the key properties of 4-(1-ethoxyethyl)-4-methyloxane?
4-(1-ethoxyethyl)-4-methyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethyl)-4-methyloxane is sourced from PubChem (CID 155428832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).