2-(oxan-4-yloxy)pentan-3-one

C10H18O3 — CID 64867602

IUPAC2-(oxan-4-yloxy)pentan-3-one
SMILESCCC(=O)C(C)OC1CCOCC1
InChIInChI=1S/C10H18O3/c1-3-10(11)8(2)13-9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyDNLXLYNQRSFJBZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.55
Rot. Bonds4

About 2-(oxan-4-yloxy)pentan-3-one

2-(oxan-4-yloxy)pentan-3-one (PubChem CID 64867602) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(oxan-4-yloxy)pentan-3-one.

Molecular Properties

Compound Name2-(oxan-4-yloxy)pentan-3-one
PubChem CID64867602
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(oxan-4-yloxy)pentan-3-one
SMILESCCC(=O)C(C)OC1CCOCC1
InChIInChI=1S/C10H18O3/c1-3-10(11)8(2)13-9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyDNLXLYNQRSFJBZ-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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CID 43801213
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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxy)pentan-3-one?
The IUPAC name of 2-(oxan-4-yloxy)pentan-3-one (CID 64867602) is 2-(oxan-4-yloxy)pentan-3-one.
What is the SMILES notation for 2-(oxan-4-yloxy)pentan-3-one?
The canonical SMILES for 2-(oxan-4-yloxy)pentan-3-one is CCC(=O)C(C)OC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yloxy)pentan-3-one?
The InChIKey is DNLXLYNQRSFJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-10(11)8(2)13-9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(oxan-4-yloxy)pentan-3-one?
2-(oxan-4-yloxy)pentan-3-one has a molecular weight of 186.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxy)pentan-3-one is sourced from PubChem (CID 64867602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).