17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

C23H40 — CID 142478882

IUPAC17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SMILESCCC1CCC2C1(C)CCC1C2(C)CCC2(C)CCCCC12C
InChIInChI=1S/C23H40/c1-6-17-9-10-18-21(17,3)14-11-19-22(18,4)16-15-20(2)12-7-8-13-23(19,20)5/h17-19H,6-16H2,1-5H3
InChIKeyJACLDANFLKFXQT-UHFFFAOYSA-N
MW316.57 g/mol
LogP7.23
Rot. Bonds1

About 17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 142478882) has the molecular formula C23H40 and a molecular weight of 316.57 g/mol. Its IUPAC name is 17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
PubChem CID142478882
Molecular FormulaC23H40
Molecular Weight316.57 g/mol
Exact Mass316.31
IUPAC Name17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SMILESCCC1CCC2C1(C)CCC1C2(C)CCC2(C)CCCCC12C
InChIInChI=1S/C23H40/c1-6-17-9-10-18-21(17,3)14-11-19-22(18,4)16-15-20(2)12-7-8-13-23(19,20)5/h17-19H,6-16H2,1-5H3
InChIKeyJACLDANFLKFXQT-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.57
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene with MolForge

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Related Compounds

ethane;17-ethyl-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 145177952
ethane;methanethiol;4-[(8R,10R,17S)-5,10,13-trimethyl-8-propan-2-yl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanamide
CID 145177711
(4aR,8aS)-4a,8a-dimethyl-1-propyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 158981751
1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 58078441
6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene
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(5S)-17-but-1-en-2-yl-5,8,10,13-tetramethyl-3-methylidene-1,2,4,6,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;ethane;methane
CID 142264731
(3R,3aR,5aR,5bR,11aS,13bS)-3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
CID 91747701
(3R,3aR,5aR,5bS,7aS,11aR,11bR,13aR,13bR)-3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
CID 124936291
(4aS,4bR,6aR,7S,10aR,10bR,12aS)-1,1,4a,7,10a,10b-hexamethyl-7-propyl-3,4,4b,5,6,6a,8,9,10,11,12,12a-dodecahydro-2H-chrysene
CID 162856905
2,6-diethyl-1-methylbicyclo[3.1.1]heptane
CID 123140222
17-(2,5-dimethylhexyl)-8,10,13-trimethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5-diamine
CID 170100696
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;hydrate
CID 174872593

Frequently Asked Questions

What is the IUPAC name of 17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene?
The IUPAC name of 17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (CID 142478882) is 17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for 17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene?
The canonical SMILES for 17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene is CCC1CCC2C1(C)CCC1C2(C)CCC2(C)CCCCC12C.
What is the InChIKey of 17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene?
The InChIKey is JACLDANFLKFXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40/c1-6-17-9-10-18-21(17,3)14-11-19-22(18,4)16-15-20(2)12-7-8-13-23(19,20)5/h17-19H,6-16H2,1-5H3.
What are the key properties of 17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene?
17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 316.57 g/mol, XLogP of 7.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 142478882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).