3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one

C13H20O2 — CID 107382905

IUPAC3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one
SMILESO=C1C=C(CCC2CCCO2)CCCC1
InChIInChI=1S/C13H20O2/c14-12-5-2-1-4-11(10-12)7-8-13-6-3-9-15-13/h10,13H,1-9H2
InChIKeyDGNWKARGIJLGGL-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.02
Rot. Bonds3

About 3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one

3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one (PubChem CID 107382905) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one.

Molecular Properties

Compound Name3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one
PubChem CID107382905
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one
SMILESO=C1C=C(CCC2CCCO2)CCCC1
InChIInChI=1S/C13H20O2/c14-12-5-2-1-4-11(10-12)7-8-13-6-3-9-15-13/h10,13H,1-9H2
InChIKeyDGNWKARGIJLGGL-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1,3-dioxolan-2-yl)ethyl]cyclohex-2-en-1-one
CID 10921454
2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one
CID 65162914
3-dodecylcyclohept-2-en-1-one
CID 107382706
1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine
CID 116661250
3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one
CID 138532024
2-methyl-3-[2-(oxolan-2-yl)ethyl]cyclopentan-1-one
CID 65165695
3-[3-(oxolan-2-yl)propyl]cyclopentan-1-one
CID 65165417
methyl 4-[[2-(oxolan-2-yl)ethylamino]methyl]benzoate
CID 60767010
3-[2-(oxolan-2-yl)ethyl]piperidine-2,6-dione
CID 65165680
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 30895093
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one?
The IUPAC name of 3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one (CID 107382905) is 3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one.
What is the SMILES notation for 3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one?
The canonical SMILES for 3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one is O=C1C=C(CCC2CCCO2)CCCC1.
What is the InChIKey of 3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one?
The InChIKey is DGNWKARGIJLGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-12-5-2-1-4-11(10-12)7-8-13-6-3-9-15-13/h10,13H,1-9H2.
What are the key properties of 3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one?
3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-2-yl)ethyl]cyclohept-2-en-1-one is sourced from PubChem (CID 107382905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).