heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone

C17H14O4 — CID 10401495

IUPACheptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone
SMILESO=C1C2C3C(=O)C4C1C15CCC41C(=O)C31CCCC21C5=O
InChIInChI=1S/C17H14O4/c18-10-6-7-11(19)9-8(10)16-4-5-17(9,16)13(21)15(7)3-1-2-14(6,15)12(16)20/h6-9H,1-5H2
InChIKeyVJDJXWOIXWGSLT-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.72
Rot. Bonds

About heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone

heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone (PubChem CID 10401495) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone.

Molecular Properties

Compound Nameheptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone
PubChem CID10401495
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Nameheptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone
SMILESO=C1C2C3C(=O)C4C1C15CCC41C(=O)C31CCCC21C5=O
InChIInChI=1S/C17H14O4/c18-10-6-7-11(19)9-8(10)16-4-5-17(9,16)13(21)15(7)3-1-2-14(6,15)12(16)20/h6-9H,1-5H2
InChIKeyVJDJXWOIXWGSLT-UHFFFAOYSA-N
XLogP0.72
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone with MolForge

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Related Compounds

(1R,4S,6R,9S)-1,4,6,9-tetrabromotetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 14968549
(1R,5S)-7-chloro-1,5-dimethylbicyclo[3.1.1]heptan-6-one
CID 130739065
(1R,5S,7S,10R)-5,7,10-trimethyltricyclo[5.3.1.01,5]undecan-11-one
CID 11790397
9-oxobicyclo[3.3.1]nonane-1,5-dicarboxylic acid
CID 91401629
(1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
CID 15966563
13,13-diethoxy-7-fluorodispiro[5.1.58.16]tetradecan-14-one
CID 70402146
3,7-diazatricyclo[3.3.3.01,5]undecane-2,4,6,8-tetrone
CID 71358860
7,7-dimethylspiro[3.4]octan-8-one
CID 45098314
(1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one
CID 11805885
6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one
CID 166892265
5-oxaspiro[3.4]octan-7-one
CID 122163504
(1S,2R,6R)-2,9-dimethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
CID 101241761

Frequently Asked Questions

What is the IUPAC name of heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone?
The IUPAC name of heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone (CID 10401495) is heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone.
What is the SMILES notation for heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone?
The canonical SMILES for heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone is O=C1C2C3C(=O)C4C1C15CCC41C(=O)C31CCCC21C5=O.
What is the InChIKey of heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone?
The InChIKey is VJDJXWOIXWGSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-10-6-7-11(19)9-8(10)16-4-5-17(9,16)13(21)15(7)3-1-2-14(6,15)12(16)20/h6-9H,1-5H2.
What are the key properties of heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone?
heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone has a molecular weight of 282.30 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[7.6.2.01,9.03,7.03,13.07,12.010,15]heptadecane-2,8,11,14-tetrone is sourced from PubChem (CID 10401495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).