oxacycloundecan-3-one

C10H18O2 — CID 150542000

IUPACoxacycloundecan-3-one
SMILESO=C1CCCCCCCCOC1
InChIInChI=1S/C10H18O2/c11-10-7-5-3-1-2-4-6-8-12-9-10/h1-9H2
InChIKeyIGBKCWJHWBSRPY-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.32
Rot. Bonds

About oxacycloundecan-3-one

oxacycloundecan-3-one (PubChem CID 150542000) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is oxacycloundecan-3-one.

Molecular Properties

Compound Nameoxacycloundecan-3-one
PubChem CID150542000
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameoxacycloundecan-3-one
SMILESO=C1CCCCCCCCOC1
InChIInChI=1S/C10H18O2/c11-10-7-5-3-1-2-4-6-8-12-9-10/h1-9H2
InChIKeyIGBKCWJHWBSRPY-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxacycloundecan-3-one?
The IUPAC name of oxacycloundecan-3-one (CID 150542000) is oxacycloundecan-3-one.
What is the SMILES notation for oxacycloundecan-3-one?
The canonical SMILES for oxacycloundecan-3-one is O=C1CCCCCCCCOC1.
What is the InChIKey of oxacycloundecan-3-one?
The InChIKey is IGBKCWJHWBSRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-10-7-5-3-1-2-4-6-8-12-9-10/h1-9H2.
What are the key properties of oxacycloundecan-3-one?
oxacycloundecan-3-one has a molecular weight of 170.25 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxacycloundecan-3-one is sourced from PubChem (CID 150542000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).