(17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene

C21H22 — CID 10956712

IUPAC(17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene
SMILESCC[C@]1(C)CCc2c1ccc1c2cc(C)c2ccccc21
InChIInChI=1S/C21H22/c1-4-21(3)12-11-18-19-13-14(2)15-7-5-6-8-16(15)17(19)9-10-20(18)21/h5-10,13H,4,11-12H2,1-3H3/t21-/m1/s1
InChIKeyDIDBUKLTPMLEAA-OAQYLSRUSA-N
MW274.41 g/mol
LogP5.92
Rot. Bonds1

About (17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene

(17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene (PubChem CID 10956712) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is (17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene
PubChem CID10956712
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name(17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene
SMILESCC[C@]1(C)CCc2c1ccc1c2cc(C)c2ccccc21
InChIInChI=1S/C21H22/c1-4-21(3)12-11-18-19-13-14(2)15-7-5-6-8-16(15)17(19)9-10-20(18)21/h5-10,13H,4,11-12H2,1-3H3/t21-/m1/s1
InChIKeyDIDBUKLTPMLEAA-OAQYLSRUSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 45098939
1,1-dimethyl-3,4-dihydro-2H-chrysene
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1-methyl-3,4-dihydro-2H-chrysen-1-ol
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7-benzyl-1,1-dimethyl-3,4-dihydro-2H-chrysene
CID 174658596
1,1,2,2-tetrabutyl-3,4-dihydrochrysene
CID 174605606
6-methyl-1,2-dihydrochrysene
CID 143566629
anthracene;6-ethyl-1,2,3,4-tetrahydrochrysene
CID 174858914
3,4-dihydro-2H-chrysene-1,1-diamine
CID 174437347
(2,6-dimethyl-1,2,3,4-tetrahydrochrysen-1-yl)methanol;1H-pyrrole
CID 174623162
4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene
CID 142040803
17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene
CID 101102026
CID 174877287
CID 174877287

Frequently Asked Questions

What is the IUPAC name of (17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene?
The IUPAC name of (17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene (CID 10956712) is (17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene.
What is the SMILES notation for (17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene?
The canonical SMILES for (17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene is CC[C@]1(C)CCc2c1ccc1c2cc(C)c2ccccc21.
What is the InChIKey of (17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene?
The InChIKey is DIDBUKLTPMLEAA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22/c1-4-21(3)12-11-18-19-13-14(2)15-7-5-6-8-16(15)17(19)9-10-20(18)21/h5-10,13H,4,11-12H2,1-3H3/t21-/m1/s1.
What are the key properties of (17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene?
(17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene has a molecular weight of 274.41 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (17R)-17-ethyl-6,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 10956712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).