6-propyloxan-2-one

C8H14O2 — CID 12777

IUPAC6-propyloxan-2-one
SMILESCCCC1CCCC(=O)O1
InChIInChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3
InChIKeyFYTRVXSHONWYNE-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.88
Rot. Bonds2

About 6-propyloxan-2-one

6-propyloxan-2-one (PubChem CID 12777) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-propyloxan-2-one.

Molecular Properties

Compound Name6-propyloxan-2-one
PubChem CID12777
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name6-propyloxan-2-one
SMILESCCCC1CCCC(=O)O1
InChIInChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3
InChIKeyFYTRVXSHONWYNE-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propyloxan-2-one?
The IUPAC name of 6-propyloxan-2-one (CID 12777) is 6-propyloxan-2-one.
What is the SMILES notation for 6-propyloxan-2-one?
The canonical SMILES for 6-propyloxan-2-one is CCCC1CCCC(=O)O1.
What is the InChIKey of 6-propyloxan-2-one?
The InChIKey is FYTRVXSHONWYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3.
What are the key properties of 6-propyloxan-2-one?
6-propyloxan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyloxan-2-one is sourced from PubChem (CID 12777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).