2-butan-2-yloxy-2H-pyran

C9H14O2 — CID 69466088

IUPAC2-butan-2-yloxy-2H-pyran
SMILESCCC(C)OC1C=CC=CO1
InChIInChI=1S/C9H14O2/c1-3-8(2)11-9-6-4-5-7-10-9/h4-9H,3H2,1-2H3
InChIKeyHJGHUDPIYHSXSK-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.23
Rot. Bonds3

About 2-butan-2-yloxy-2H-pyran

2-butan-2-yloxy-2H-pyran (PubChem CID 69466088) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-butan-2-yloxy-2H-pyran.

Molecular Properties

Compound Name2-butan-2-yloxy-2H-pyran
PubChem CID69466088
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-butan-2-yloxy-2H-pyran
SMILESCCC(C)OC1C=CC=CO1
InChIInChI=1S/C9H14O2/c1-3-8(2)11-9-6-4-5-7-10-9/h4-9H,3H2,1-2H3
InChIKeyHJGHUDPIYHSXSK-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-2H-pyran?
The IUPAC name of 2-butan-2-yloxy-2H-pyran (CID 69466088) is 2-butan-2-yloxy-2H-pyran.
What is the SMILES notation for 2-butan-2-yloxy-2H-pyran?
The canonical SMILES for 2-butan-2-yloxy-2H-pyran is CCC(C)OC1C=CC=CO1.
What is the InChIKey of 2-butan-2-yloxy-2H-pyran?
The InChIKey is HJGHUDPIYHSXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-8(2)11-9-6-4-5-7-10-9/h4-9H,3H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-2H-pyran?
2-butan-2-yloxy-2H-pyran has a molecular weight of 154.21 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 2-butan-2-yloxy-2H-pyran is sourced from PubChem (CID 69466088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).