3-butyl-2H-pyran-2-ol

C9H14O2 — CID 154019084

IUPAC3-butyl-2H-pyran-2-ol
SMILESCCCCC1=CC=COC1O
InChIInChI=1S/C9H14O2/c1-2-3-5-8-6-4-7-11-9(8)10/h4,6-7,9-10H,2-3,5H2,1H3
InChIKeyRAURZTDKBLLOIV-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.97
Rot. Bonds3

About 3-butyl-2H-pyran-2-ol

3-butyl-2H-pyran-2-ol (PubChem CID 154019084) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-butyl-2H-pyran-2-ol.

Molecular Properties

Compound Name3-butyl-2H-pyran-2-ol
PubChem CID154019084
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-butyl-2H-pyran-2-ol
SMILESCCCCC1=CC=COC1O
InChIInChI=1S/C9H14O2/c1-2-3-5-8-6-4-7-11-9(8)10/h4,6-7,9-10H,2-3,5H2,1H3
InChIKeyRAURZTDKBLLOIV-UHFFFAOYSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2H-pyran-2-ol?
The IUPAC name of 3-butyl-2H-pyran-2-ol (CID 154019084) is 3-butyl-2H-pyran-2-ol.
What is the SMILES notation for 3-butyl-2H-pyran-2-ol?
The canonical SMILES for 3-butyl-2H-pyran-2-ol is CCCCC1=CC=COC1O.
What is the InChIKey of 3-butyl-2H-pyran-2-ol?
The InChIKey is RAURZTDKBLLOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-5-8-6-4-7-11-9(8)10/h4,6-7,9-10H,2-3,5H2,1H3.
What are the key properties of 3-butyl-2H-pyran-2-ol?
3-butyl-2H-pyran-2-ol has a molecular weight of 154.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2H-pyran-2-ol is sourced from PubChem (CID 154019084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).