cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one

C23H30O5 — CID 159948874

IUPACcyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one
SMILESO=C1C=CCC1.O=C1C=CCCC1.O=C1C=CCCCC1.O=C1C=CCCO1
InChIInChI=1S/C7H10O.C6H8O.C5H6O2.C5H6O/c8-7-5-3-1-2-4-6-7;7-6-4-2-1-3-5-6;6-5-3-1-2-4-7-5;6-5-3-1-2-4-5/h3,5H,1-2,4,6H2;2,4H,1,3,5H2;1,3H,2,4H2;1,3H,2,4H2
InChIKeyOBVPISUZQWSMIS-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.38
Rot. Bonds

About cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one

cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one (PubChem CID 159948874) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one.

Molecular Properties

Compound Namecyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one
PubChem CID159948874
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Namecyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one
SMILESO=C1C=CCC1.O=C1C=CCCC1.O=C1C=CCCCC1.O=C1C=CCCO1
InChIInChI=1S/C7H10O.C6H8O.C5H6O2.C5H6O/c8-7-5-3-1-2-4-6-7;7-6-4-2-1-3-5-6;6-5-3-1-2-4-7-5;6-5-3-1-2-4-5/h3,5H,1-2,4,6H2;2,4H,1,3,5H2;1,3H,2,4H2;1,3H,2,4H2
InChIKeyOBVPISUZQWSMIS-UHFFFAOYSA-N
XLogP4.38
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one with MolForge

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Launch Full Analysis

Related Compounds

(8E)-1-oxacycloundec-8-ene-2,7-dione
CID 5364708
(2E)-cyclooct-2-en-1-one
CID 12579018
(2Z,8E)-cycloundeca-2,8-dien-1-one
CID 171377468
(2E,8E)-cycloicosa-2,8-diene-1,10-dione
CID 10149582
(9E,21E)-cyclodocosa-9,21-diene-1,8-dione
CID 10193416
(2E)-cyclononadec-2-en-1-one
CID 171377738
cyclohex-2-en-1-one;dihydrochloride
CID 21391808
CID 68518361
CID 68518361
2,3-dihydropyran-6-one
CID 520660
(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
CID 23567733
(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 58620253
(2Z,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 23567736

Frequently Asked Questions

What is the IUPAC name of cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one?
The IUPAC name of cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one (CID 159948874) is cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one.
What is the SMILES notation for cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one?
The canonical SMILES for cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one is O=C1C=CCC1.O=C1C=CCCC1.O=C1C=CCCCC1.O=C1C=CCCO1.
What is the InChIKey of cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one?
The InChIKey is OBVPISUZQWSMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C6H8O.C5H6O2.C5H6O/c8-7-5-3-1-2-4-6-7;7-6-4-2-1-3-5-6;6-5-3-1-2-4-7-5;6-5-3-1-2-4-5/h3,5H,1-2,4,6H2;2,4H,1,3,5H2;1,3H,2,4H2;1,3H,2,4H2.
What are the key properties of cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one?
cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one has a molecular weight of 386.49 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one is sourced from PubChem (CID 159948874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).