6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one

C15H22O2 — CID 67426951

IUPAC6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one
SMILESO=C1C=C(C2=CCCCCCC2)CCCCO1
InChIInChI=1S/C15H22O2/c16-15-12-14(10-6-7-11-17-15)13-8-4-2-1-3-5-9-13/h8,12H,1-7,9-11H2
InChIKeyUINUSHCTSWLJAH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.92
Rot. Bonds1

About 6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one

6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one (PubChem CID 67426951) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one.

Molecular Properties

Compound Name6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one
PubChem CID67426951
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one
SMILESO=C1C=C(C2=CCCCCCC2)CCCCO1
InChIInChI=1S/C15H22O2/c16-15-12-14(10-6-7-11-17-15)13-8-4-2-1-3-5-9-13/h8,12H,1-7,9-11H2
InChIKeyUINUSHCTSWLJAH-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
1,6-dioxacyclotetracos-3-ene-2,5-dione
CID 154091712
(3Z,16E)-1,6-dioxacyclohexacosa-3,16-diene-2,5-dione
CID 102085318
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
1-oxacyclohexadec-10-en-2-one
CID 72833343
(17E)-1,7-dioxacycloheptacos-17-ene-8,27-dione
CID 71658007
(11E)-1-oxacyclohexadec-11-en-2-one
CID 11107424
CID 67945351
CID 67945351

Frequently Asked Questions

What is the IUPAC name of 6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one?
The IUPAC name of 6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one (CID 67426951) is 6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one.
What is the SMILES notation for 6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one?
The canonical SMILES for 6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one is O=C1C=C(C2=CCCCCCC2)CCCCO1.
What is the InChIKey of 6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one?
The InChIKey is UINUSHCTSWLJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c16-15-12-14(10-6-7-11-17-15)13-8-4-2-1-3-5-9-13/h8,12H,1-7,9-11H2.
What are the key properties of 6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one?
6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one has a molecular weight of 234.34 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one is sourced from PubChem (CID 67426951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).