11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone

C14H18O5 — CID 141130807

IUPAC11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone
SMILESO=C1CC(=O)OC(=O)CC(=O)CC2(CCCCC2)C1
InChIInChI=1S/C14H18O5/c15-10-6-12(17)19-13(18)7-11(16)9-14(8-10)4-2-1-3-5-14/h1-9H2
InChIKeyLFHKDHRXPLGHJX-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.72
Rot. Bonds

About 11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone

11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone (PubChem CID 141130807) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone.

Molecular Properties

Compound Name11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone
PubChem CID141130807
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone
SMILESO=C1CC(=O)OC(=O)CC(=O)CC2(CCCCC2)C1
InChIInChI=1S/C14H18O5/c15-10-6-12(17)19-13(18)7-11(16)9-14(8-10)4-2-1-3-5-14/h1-9H2
InChIKeyLFHKDHRXPLGHJX-UHFFFAOYSA-N
XLogP1.72
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-oxaspiro[5.7]tridecane-2,4-dione
CID 11356274
spiro[2.7]decan-9-one
CID 130028945
3-azaspiro[5.6]dodecane-2,4-dione
CID 46911960
spiro[4.6]undecan-10-one
CID 15638085
6-iminospiro[3.5]nonan-8-one
CID 123876538
7-ethenylidene-8-oxaspiro[4.5]decan-9-one
CID 143819117
oxalic acid;spiro[4.5]decan-3-one
CID 162309193
3,9-dioxaspiro[5.5]undecane-2,4-dione
CID 138991363
2-oxaspiro[4.4]nonane-1,3-dione
CID 2737102
7-oxaspiro[3.5]nonan-2-one
CID 67451909
dispiro[3.1.36.14]decan-8-one
CID 155821290
6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 159322778

Frequently Asked Questions

What is the IUPAC name of 11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone?
The IUPAC name of 11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone (CID 141130807) is 11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone.
What is the SMILES notation for 11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone?
The canonical SMILES for 11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone is O=C1CC(=O)OC(=O)CC(=O)CC2(CCCCC2)C1.
What is the InChIKey of 11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone?
The InChIKey is LFHKDHRXPLGHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c15-10-6-12(17)19-13(18)7-11(16)9-14(8-10)4-2-1-3-5-14/h1-9H2.
What are the key properties of 11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone?
11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone has a molecular weight of 266.29 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone is sourced from PubChem (CID 141130807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).