4-propan-2-yloxane;3-propan-2-yloxolane

C15H30O2 — CID 157371501

IUPAC4-propan-2-yloxane;3-propan-2-yloxolane
SMILESCC(C)C1CCOC1.CC(C)C1CCOCC1
InChIInChI=1S/C8H16O.C7H14O/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyBJUWZOFGOFBPEE-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.75
Rot. Bonds2

About 4-propan-2-yloxane;3-propan-2-yloxolane

4-propan-2-yloxane;3-propan-2-yloxolane (PubChem CID 157371501) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4-propan-2-yloxane;3-propan-2-yloxolane.

Molecular Properties

Compound Name4-propan-2-yloxane;3-propan-2-yloxolane
PubChem CID157371501
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4-propan-2-yloxane;3-propan-2-yloxolane
SMILESCC(C)C1CCOC1.CC(C)C1CCOCC1
InChIInChI=1S/C8H16O.C7H14O/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyBJUWZOFGOFBPEE-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxane;3-propan-2-yloxolane?
The IUPAC name of 4-propan-2-yloxane;3-propan-2-yloxolane (CID 157371501) is 4-propan-2-yloxane;3-propan-2-yloxolane.
What is the SMILES notation for 4-propan-2-yloxane;3-propan-2-yloxolane?
The canonical SMILES for 4-propan-2-yloxane;3-propan-2-yloxolane is CC(C)C1CCOC1.CC(C)C1CCOCC1.
What is the InChIKey of 4-propan-2-yloxane;3-propan-2-yloxolane?
The InChIKey is BJUWZOFGOFBPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C7H14O/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-yloxane;3-propan-2-yloxolane?
4-propan-2-yloxane;3-propan-2-yloxolane has a molecular weight of 242.40 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxane;3-propan-2-yloxolane is sourced from PubChem (CID 157371501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).