3-(oxan-3-yl)cyclohex-2-en-1-one

C11H16O2 — CID 107137768

IUPAC3-(oxan-3-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2CCCOC2)CCC1
InChIInChI=1S/C11H16O2/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h7,10H,1-6,8H2
InChIKeyWWJNEPIHSGIQQZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds1

About 3-(oxan-3-yl)cyclohex-2-en-1-one

3-(oxan-3-yl)cyclohex-2-en-1-one (PubChem CID 107137768) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(oxan-3-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(oxan-3-yl)cyclohex-2-en-1-one
PubChem CID107137768
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-(oxan-3-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2CCCOC2)CCC1
InChIInChI=1S/C11H16O2/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h7,10H,1-6,8H2
InChIKeyWWJNEPIHSGIQQZ-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(oxan-3-yl)cyclohex-2-en-1-one (CID 107137768) is 3-(oxan-3-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(oxan-3-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(oxan-3-yl)cyclohex-2-en-1-one is O=C1C=C(C2CCCOC2)CCC1.
What is the InChIKey of 3-(oxan-3-yl)cyclohex-2-en-1-one?
The InChIKey is WWJNEPIHSGIQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h7,10H,1-6,8H2.
What are the key properties of 3-(oxan-3-yl)cyclohex-2-en-1-one?
3-(oxan-3-yl)cyclohex-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 107137768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).