1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one

C14H24O2 — CID 52951284

IUPAC1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one
SMILESCCCCC(=O)C1CCC=C(CCCC)O1
InChIInChI=1S/C14H24O2/c1-3-5-8-12-9-7-11-14(16-12)13(15)10-6-4-2/h9,14H,3-8,10-11H2,1-2H3
InChIKeyRQEHHCWOZQMSNU-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds7

About 1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one

1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one (PubChem CID 52951284) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one
PubChem CID52951284
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one
SMILESCCCCC(=O)C1CCC=C(CCCC)O1
InChIInChI=1S/C14H24O2/c1-3-5-8-12-9-7-11-14(16-12)13(15)10-6-4-2/h9,14H,3-8,10-11H2,1-2H3
InChIKeyRQEHHCWOZQMSNU-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one?
The IUPAC name of 1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one (CID 52951284) is 1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one.
What is the SMILES notation for 1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one?
The canonical SMILES for 1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one is CCCCC(=O)C1CCC=C(CCCC)O1.
What is the InChIKey of 1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one?
The InChIKey is RQEHHCWOZQMSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-8-12-9-7-11-14(16-12)13(15)10-6-4-2/h9,14H,3-8,10-11H2,1-2H3.
What are the key properties of 1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one?
1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one has a molecular weight of 224.34 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one is sourced from PubChem (CID 52951284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).