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

Citronellyl dodecanoate
CID 21263168
Chaulmoogric acid ethyl ester
CID 23615635
Citronellyl decanoate
CID 57353225
Hexyldecyl Oleate
CID 6433037
Octyldodecyl Oleate
CID 6436561
Isodecyl Oleate
CID 6436737
Ethylhexyl Oleate
CID 6438028
Oxacyclopentadec-10-en-2-one, 13-methyl-
CID 56842685
Butyloctyl Oleate
CID 71587487
Isostearyl Erucate
CID 91668147
Dioctyldodecyl Dimer Dilinoleate
CID 101761572
Ethyl 11-(cyclopent-2-en-1-yl)undecanoate
CID 19082

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).