4-oxabicyclo[14.1.0]heptadecane-5,9-dione

C16H26O3 — CID 141013628

IUPAC4-oxabicyclo[14.1.0]heptadecane-5,9-dione
SMILESO=C1CCCCCCC2CC2CCOC(=O)CCC1
InChIInChI=1S/C16H26O3/c17-15-7-4-2-1-3-6-13-12-14(13)10-11-19-16(18)9-5-8-15/h13-14H,1-12H2
InChIKeyZDUWOAQYXVPMEH-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.65
Rot. Bonds

About 4-oxabicyclo[14.1.0]heptadecane-5,9-dione

4-oxabicyclo[14.1.0]heptadecane-5,9-dione (PubChem CID 141013628) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-oxabicyclo[14.1.0]heptadecane-5,9-dione.

Molecular Properties

Compound Name4-oxabicyclo[14.1.0]heptadecane-5,9-dione
PubChem CID141013628
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-oxabicyclo[14.1.0]heptadecane-5,9-dione
SMILESO=C1CCCCCCC2CC2CCOC(=O)CCC1
InChIInChI=1S/C16H26O3/c17-15-7-4-2-1-3-6-13-12-14(13)10-11-19-16(18)9-5-8-15/h13-14H,1-12H2
InChIKeyZDUWOAQYXVPMEH-UHFFFAOYSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6-oxabicyclo[13.1.0]hexadecan-7-one
CID 23149554
5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide
CID 141013625
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one
CID 175759796
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
CID 12581605
2-cyclohexyl-1,4-dioxecane-5,10-dione
CID 54163807
14-propan-2-yl-oxacyclohexadecan-2-one
CID 123475189
4-cyclopentyloxan-2-one
CID 83816062
11,25,39-trimethyl-1,15,29-trioxacyclodotetracontane-2,16,30-trione
CID 18738133

Frequently Asked Questions

What is the IUPAC name of 4-oxabicyclo[14.1.0]heptadecane-5,9-dione?
The IUPAC name of 4-oxabicyclo[14.1.0]heptadecane-5,9-dione (CID 141013628) is 4-oxabicyclo[14.1.0]heptadecane-5,9-dione.
What is the SMILES notation for 4-oxabicyclo[14.1.0]heptadecane-5,9-dione?
The canonical SMILES for 4-oxabicyclo[14.1.0]heptadecane-5,9-dione is O=C1CCCCCCC2CC2CCOC(=O)CCC1.
What is the InChIKey of 4-oxabicyclo[14.1.0]heptadecane-5,9-dione?
The InChIKey is ZDUWOAQYXVPMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c17-15-7-4-2-1-3-6-13-12-14(13)10-11-19-16(18)9-5-8-15/h13-14H,1-12H2.
What are the key properties of 4-oxabicyclo[14.1.0]heptadecane-5,9-dione?
4-oxabicyclo[14.1.0]heptadecane-5,9-dione has a molecular weight of 266.38 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxabicyclo[14.1.0]heptadecane-5,9-dione is sourced from PubChem (CID 141013628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).