dispiro[5.1.58.36]hexadecane-14,16-dione

C16H24O2 — CID 163588226

IUPACdispiro[5.1.58.36]hexadecane-14,16-dione
SMILESO=C1CC(=O)C2(CCCCC2)CC12CCCCC2
InChIInChI=1S/C16H24O2/c17-13-11-14(18)16(9-5-2-6-10-16)12-15(13)7-3-1-4-8-15/h1-12H2
InChIKeyGNHOALSBNYODJX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.82
Rot. Bonds

About dispiro[5.1.58.36]hexadecane-14,16-dione

dispiro[5.1.58.36]hexadecane-14,16-dione (PubChem CID 163588226) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is dispiro[5.1.58.36]hexadecane-14,16-dione.

Molecular Properties

Compound Namedispiro[5.1.58.36]hexadecane-14,16-dione
PubChem CID163588226
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Namedispiro[5.1.58.36]hexadecane-14,16-dione
SMILESO=C1CC(=O)C2(CCCCC2)CC12CCCCC2
InChIInChI=1S/C16H24O2/c17-13-11-14(18)16(9-5-2-6-10-16)12-15(13)7-3-1-4-8-15/h1-12H2
InChIKeyGNHOALSBNYODJX-UHFFFAOYSA-N
XLogP3.82
TPSA34.14 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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

spiro[13.14]octacosan-28-one
CID 12738452
spiro[4.5]decane-6,8,10-trione
CID 141056738
spiro[5.7]tridecane-9,13-dione
CID 155931279
2-azaspiro[4.4]nonan-4-one
CID 21494522
spiro[5.6]dodecane-5,12-dione
CID 534624
(1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one
CID 11127079
9-azaspiro[6.10]heptadecane-8,10-dione
CID 69440147
8,11,15,18-tetrazaspiro[5.13]nonadecan-5-one
CID 101251963
2,13-diazaspiro[6.8]pentadecan-1-one
CID 175637955
spiro[2.5]octane-6,8-dione
CID 18755517
(1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one
CID 13167047
2,3-dimethylspiro[4.5]dec-2-en-4-one
CID 14809990

Frequently Asked Questions

What is the IUPAC name of dispiro[5.1.58.36]hexadecane-14,16-dione?
The IUPAC name of dispiro[5.1.58.36]hexadecane-14,16-dione (CID 163588226) is dispiro[5.1.58.36]hexadecane-14,16-dione.
What is the SMILES notation for dispiro[5.1.58.36]hexadecane-14,16-dione?
The canonical SMILES for dispiro[5.1.58.36]hexadecane-14,16-dione is O=C1CC(=O)C2(CCCCC2)CC12CCCCC2.
What is the InChIKey of dispiro[5.1.58.36]hexadecane-14,16-dione?
The InChIKey is GNHOALSBNYODJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c17-13-11-14(18)16(9-5-2-6-10-16)12-15(13)7-3-1-4-8-15/h1-12H2.
What are the key properties of dispiro[5.1.58.36]hexadecane-14,16-dione?
dispiro[5.1.58.36]hexadecane-14,16-dione has a molecular weight of 248.37 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dispiro[5.1.58.36]hexadecane-14,16-dione is sourced from PubChem (CID 163588226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).