7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one

C16H24O2 — CID 77386679

IUPAC7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one
SMILESO=C1CCCCCC=CC2CC2CC=CCCO1
InChIInChI=1S/C16H24O2/c17-16-11-7-3-1-2-5-9-14-13-15(14)10-6-4-8-12-18-16/h4-6,9,14-15H,1-3,7-8,10-13H2
InChIKeyMCYOESOBETWICH-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.02
Rot. Bonds

About 7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one

7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one (PubChem CID 77386679) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one.

Molecular Properties

Compound Name7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one
PubChem CID77386679
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one
SMILESO=C1CCCCCC=CC2CC2CC=CCCO1
InChIInChI=1S/C16H24O2/c17-16-11-7-3-1-2-5-9-14-13-15(14)10-6-4-8-12-18-16/h4-6,9,14-15H,1-3,7-8,10-13H2
InChIKeyMCYOESOBETWICH-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-oxacyclododec-9-en-2-one
CID 86140369
(10E)-1-oxacyclotridec-10-en-2-one
CID 14539994
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
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
(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one
CID 171904779
13-methyl-1-oxacyclopentadec-10-en-2-one
CID 54131551
(6Z)-1-oxacyclotetradec-6-en-2-one
CID 102124447
(6E)-1-oxacyclohexadec-6-en-2-one
CID 67592282

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one?
The IUPAC name of 7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one (CID 77386679) is 7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one.
What is the SMILES notation for 7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one?
The canonical SMILES for 7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one is O=C1CCCCCC=CC2CC2CC=CCCO1.
What is the InChIKey of 7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one?
The InChIKey is MCYOESOBETWICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c17-16-11-7-3-1-2-5-9-14-13-15(14)10-6-4-8-12-18-16/h4-6,9,14-15H,1-3,7-8,10-13H2.
What are the key properties of 7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one?
7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one has a molecular weight of 248.37 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one is sourced from PubChem (CID 77386679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).