4-propan-2-yloxyoxane

C8H16O2 — CID 21353723

IUPAC4-propan-2-yloxyoxane
SMILESCC(C)OC1CCOCC1
InChIInChI=1S/C8H16O2/c1-7(2)10-8-3-5-9-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyMEZCQZJDXVJARQ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds2

About 4-propan-2-yloxyoxane

4-propan-2-yloxyoxane (PubChem CID 21353723) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-propan-2-yloxyoxane.

Molecular Properties

Compound Name4-propan-2-yloxyoxane
PubChem CID21353723
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-propan-2-yloxyoxane
SMILESCC(C)OC1CCOCC1
InChIInChI=1S/C8H16O2/c1-7(2)10-8-3-5-9-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyMEZCQZJDXVJARQ-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxyoxane?
The IUPAC name of 4-propan-2-yloxyoxane (CID 21353723) is 4-propan-2-yloxyoxane.
What is the SMILES notation for 4-propan-2-yloxyoxane?
The canonical SMILES for 4-propan-2-yloxyoxane is CC(C)OC1CCOCC1.
What is the InChIKey of 4-propan-2-yloxyoxane?
The InChIKey is MEZCQZJDXVJARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)10-8-3-5-9-6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yloxyoxane?
4-propan-2-yloxyoxane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxyoxane is sourced from PubChem (CID 21353723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).