4-butyl-4H-pyran

C9H14O — CID 15612482

IUPAC4-butyl-4H-pyran
SMILESCCCCC1C=COC=C1
InChIInChI=1S/C9H14O/c1-2-3-4-9-5-7-10-8-6-9/h5-9H,2-4H2,1H3
InChIKeyDVWVSSWRNMRTEO-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.85
Rot. Bonds3

About 4-butyl-4H-pyran

4-butyl-4H-pyran (PubChem CID 15612482) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-butyl-4H-pyran.

Molecular Properties

Compound Name4-butyl-4H-pyran
PubChem CID15612482
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-butyl-4H-pyran
SMILESCCCCC1C=COC=C1
InChIInChI=1S/C9H14O/c1-2-3-4-9-5-7-10-8-6-9/h5-9H,2-4H2,1H3
InChIKeyDVWVSSWRNMRTEO-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4H-pyran?
The IUPAC name of 4-butyl-4H-pyran (CID 15612482) is 4-butyl-4H-pyran.
What is the SMILES notation for 4-butyl-4H-pyran?
The canonical SMILES for 4-butyl-4H-pyran is CCCCC1C=COC=C1.
What is the InChIKey of 4-butyl-4H-pyran?
The InChIKey is DVWVSSWRNMRTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-4-9-5-7-10-8-6-9/h5-9H,2-4H2,1H3.
What are the key properties of 4-butyl-4H-pyran?
4-butyl-4H-pyran has a molecular weight of 138.21 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4H-pyran is sourced from PubChem (CID 15612482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).