1-(oxan-3-yl)propan-1-one

C8H14O2 — CID 65331952

IUPAC1-(oxan-3-yl)propan-1-one
SMILESCCC(=O)C1CCCOC1
InChIInChI=1S/C8H14O2/c1-2-8(9)7-4-3-5-10-6-7/h7H,2-6H2,1H3
InChIKeyFGHQPNYAHBYNOH-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds2

About 1-(oxan-3-yl)propan-1-one

1-(oxan-3-yl)propan-1-one (PubChem CID 65331952) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(oxan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(oxan-3-yl)propan-1-one
PubChem CID65331952
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-(oxan-3-yl)propan-1-one
SMILESCCC(=O)C1CCCOC1
InChIInChI=1S/C8H14O2/c1-2-8(9)7-4-3-5-10-6-7/h7H,2-6H2,1H3
InChIKeyFGHQPNYAHBYNOH-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)propan-1-one?
The IUPAC name of 1-(oxan-3-yl)propan-1-one (CID 65331952) is 1-(oxan-3-yl)propan-1-one.
What is the SMILES notation for 1-(oxan-3-yl)propan-1-one?
The canonical SMILES for 1-(oxan-3-yl)propan-1-one is CCC(=O)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)propan-1-one?
The InChIKey is FGHQPNYAHBYNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-8(9)7-4-3-5-10-6-7/h7H,2-6H2,1H3.
What are the key properties of 1-(oxan-3-yl)propan-1-one?
1-(oxan-3-yl)propan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)propan-1-one is sourced from PubChem (CID 65331952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).