4-ethyl-4-(2-methylpropyl)oxane

C11H22O — CID 58432614

IUPAC4-ethyl-4-(2-methylpropyl)oxane
SMILESCCC1(CC(C)C)CCOCC1
InChIInChI=1S/C11H22O/c1-4-11(9-10(2)3)5-7-12-8-6-11/h10H,4-9H2,1-3H3
InChIKeyFHMVNQBMMSAWOO-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds3

About 4-ethyl-4-(2-methylpropyl)oxane

4-ethyl-4-(2-methylpropyl)oxane (PubChem CID 58432614) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-ethyl-4-(2-methylpropyl)oxane.

Molecular Properties

Compound Name4-ethyl-4-(2-methylpropyl)oxane
PubChem CID58432614
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-ethyl-4-(2-methylpropyl)oxane
SMILESCCC1(CC(C)C)CCOCC1
InChIInChI=1S/C11H22O/c1-4-11(9-10(2)3)5-7-12-8-6-11/h10H,4-9H2,1-3H3
InChIKeyFHMVNQBMMSAWOO-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(2-methylpropyl)oxane?
The IUPAC name of 4-ethyl-4-(2-methylpropyl)oxane (CID 58432614) is 4-ethyl-4-(2-methylpropyl)oxane.
What is the SMILES notation for 4-ethyl-4-(2-methylpropyl)oxane?
The canonical SMILES for 4-ethyl-4-(2-methylpropyl)oxane is CCC1(CC(C)C)CCOCC1.
What is the InChIKey of 4-ethyl-4-(2-methylpropyl)oxane?
The InChIKey is FHMVNQBMMSAWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-11(9-10(2)3)5-7-12-8-6-11/h10H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-4-(2-methylpropyl)oxane?
4-ethyl-4-(2-methylpropyl)oxane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(2-methylpropyl)oxane is sourced from PubChem (CID 58432614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).