7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one

C22H32O — CID 70991707

IUPAC7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one
SMILESCCC1CC2=CC(=O)CCC2C2CCC3(CC)CC4CC4C3C12
InChIInChI=1S/C22H32O/c1-3-13-9-14-10-16(23)5-6-17(14)18-7-8-22(4-2)12-15-11-19(15)21(22)20(13)18/h10,13,15,17-21H,3-9,11-12H2,1-2H3
InChIKeyQNJKQPPCTVRHEN-UHFFFAOYSA-N
MW312.50 g/mol
LogP5.40
Rot. Bonds2

About 7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one

7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one (PubChem CID 70991707) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is 7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one.

Molecular Properties

Compound Name7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one
PubChem CID70991707
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Name7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one
SMILESCCC1CC2=CC(=O)CCC2C2CCC3(CC)CC4CC4C3C12
InChIInChI=1S/C22H32O/c1-3-13-9-14-10-16(23)5-6-17(14)18-7-8-22(4-2)12-15-11-19(15)21(22)20(13)18/h10,13,15,17-21H,3-9,11-12H2,1-2H3
InChIKeyQNJKQPPCTVRHEN-UHFFFAOYSA-N
XLogP5.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,3R,5S,6S,7S,10S,11R,18R)-18-ethyl-6,7-dimethyl-14-oxopentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene-6-carbonitrile
CID 25125975
(7S,8R,9S,10R,13S,14S,17S)-17-amino-7-ethyl-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 70881736
(1'R,2'S,3'R,5S,5'R,7'S,10'S,11'R,18'S)-18'-ethyl-7'-methylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one
CID 58092584
(7'S)-18'-ethyl-7'-methylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one
CID 143827799
(Z)-3-[(1R,2S,3R,5R,6S,7S,10S,11R,18S)-7,18-diethyl-6-hydroxy-14-oxo-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-enyl]prop-2-enoic acid
CID 66844954
(Z)-3-[(1R,2S,3S,5S,6S,7S,10S,11R,18R)-7,18-diethyl-6-hydroxy-14-oxo-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-enyl]prop-2-enoic acid
CID 66844210
(1'R,2'S,3'R,5S,5'R,7'S,10'S,11'R,18'S)-18'-ethyl-7'-methylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one;(1'R,2'S,3'R,5S,5'R,7'S,10'S,11'R,18'R)-18'-ethyl-7'-methylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one;methane
CID 159805768
(7S,8R,9S,10R,13S,14S,17S)-7,13-diethyl-17-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carbonitrile
CID 68914388
(10R,13S,17R)-7,13-diethylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-furan]-2',3-dione
CID 58115342
(7S)-8,9-diethyl-7-(4-methoxybutyl)-7-methyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one
CID 70992294
[(13S,17S)-7-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]methyl propanoate
CID 143827952
(5S,7'S)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione
CID 160674502

Frequently Asked Questions

What is the IUPAC name of 7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one?
The IUPAC name of 7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one (CID 70991707) is 7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one.
What is the SMILES notation for 7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one?
The canonical SMILES for 7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one is CCC1CC2=CC(=O)CCC2C2CCC3(CC)CC4CC4C3C12.
What is the InChIKey of 7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one?
The InChIKey is QNJKQPPCTVRHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O/c1-3-13-9-14-10-16(23)5-6-17(14)18-7-8-22(4-2)12-15-11-19(15)21(22)20(13)18/h10,13,15,17-21H,3-9,11-12H2,1-2H3.
What are the key properties of 7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one?
7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one has a molecular weight of 312.50 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one is sourced from PubChem (CID 70991707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).