4-(1-propan-2-yloxyethyl)oxane

C10H20O2 — CID 134379944

IUPAC4-(1-propan-2-yloxyethyl)oxane
SMILESCC(C)OC(C)C1CCOCC1
InChIInChI=1S/C10H20O2/c1-8(2)12-9(3)10-4-6-11-7-5-10/h8-10H,4-7H2,1-3H3
InChIKeyMULYBSIQGHCSNT-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds3

About 4-(1-propan-2-yloxyethyl)oxane

4-(1-propan-2-yloxyethyl)oxane (PubChem CID 134379944) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(1-propan-2-yloxyethyl)oxane.

Molecular Properties

Compound Name4-(1-propan-2-yloxyethyl)oxane
PubChem CID134379944
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-(1-propan-2-yloxyethyl)oxane
SMILESCC(C)OC(C)C1CCOCC1
InChIInChI=1S/C10H20O2/c1-8(2)12-9(3)10-4-6-11-7-5-10/h8-10H,4-7H2,1-3H3
InChIKeyMULYBSIQGHCSNT-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-propan-2-yloxyethyl)oxane?
The IUPAC name of 4-(1-propan-2-yloxyethyl)oxane (CID 134379944) is 4-(1-propan-2-yloxyethyl)oxane.
What is the SMILES notation for 4-(1-propan-2-yloxyethyl)oxane?
The canonical SMILES for 4-(1-propan-2-yloxyethyl)oxane is CC(C)OC(C)C1CCOCC1.
What is the InChIKey of 4-(1-propan-2-yloxyethyl)oxane?
The InChIKey is MULYBSIQGHCSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)12-9(3)10-4-6-11-7-5-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(1-propan-2-yloxyethyl)oxane?
4-(1-propan-2-yloxyethyl)oxane 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-propan-2-yloxyethyl)oxane is sourced from PubChem (CID 134379944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).