4-(2-propan-2-yloxyethyl)oxane

C10H20O2 — CID 154661417

IUPAC4-(2-propan-2-yloxyethyl)oxane
SMILESCC(C)OCCC1CCOCC1
InChIInChI=1S/C10H20O2/c1-9(2)12-8-5-10-3-6-11-7-4-10/h9-10H,3-8H2,1-2H3
InChIKeyYUTDTJULAJVTAJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds4

About 4-(2-propan-2-yloxyethyl)oxane

4-(2-propan-2-yloxyethyl)oxane (PubChem CID 154661417) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyethyl)oxane.

Molecular Properties

Compound Name4-(2-propan-2-yloxyethyl)oxane
PubChem CID154661417
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-(2-propan-2-yloxyethyl)oxane
SMILESCC(C)OCCC1CCOCC1
InChIInChI=1S/C10H20O2/c1-9(2)12-8-5-10-3-6-11-7-4-10/h9-10H,3-8H2,1-2H3
InChIKeyYUTDTJULAJVTAJ-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(2-propan-2-yloxyethyl)oxane?
The IUPAC name of 4-(2-propan-2-yloxyethyl)oxane (CID 154661417) is 4-(2-propan-2-yloxyethyl)oxane.
What is the SMILES notation for 4-(2-propan-2-yloxyethyl)oxane?
The canonical SMILES for 4-(2-propan-2-yloxyethyl)oxane is CC(C)OCCC1CCOCC1.
What is the InChIKey of 4-(2-propan-2-yloxyethyl)oxane?
The InChIKey is YUTDTJULAJVTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)12-8-5-10-3-6-11-7-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(2-propan-2-yloxyethyl)oxane?
4-(2-propan-2-yloxyethyl)oxane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyethyl)oxane is sourced from PubChem (CID 154661417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).