(8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

C19H26O2 — CID 10401982

IUPAC(8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SMILES[3H]C1C[C@]2(CC)C(=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@]12[3H]
InChIInChI=1S/C19H26O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-17H,2-10H2,1H3/t14-,15+,16+,17-,19-/m0/s1/i9T,15T/t9?,14-,15+,16+,17-,19-
InChIKeySBLHOJQRZNGHLQ-KVHJFZSYSA-N
MW290.43 g/mol
LogP4.09
Rot. Bonds1

About (8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

(8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (PubChem CID 10401982) has the molecular formula C19H26O2 and a molecular weight of 290.43 g/mol. Its IUPAC name is (8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name(8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
PubChem CID10401982
Molecular FormulaC19H26O2
Molecular Weight290.43 g/mol
Exact Mass290.21
IUPAC Name(8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SMILES[3H]C1C[C@]2(CC)C(=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@]12[3H]
InChIInChI=1S/C19H26O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-17H,2-10H2,1H3/t14-,15+,16+,17-,19-/m0/s1/i9T,15T/t9?,14-,15+,16+,17-,19-
InChIKeySBLHOJQRZNGHLQ-KVHJFZSYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of (8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (CID 10401982) is (8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for (8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for (8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is [3H]C1C[C@]2(CC)C(=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@]12[3H].
What is the InChIKey of (8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is SBLHOJQRZNGHLQ-KVHJFZSYSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-17H,2-10H2,1H3/t14-,15+,16+,17-,19-/m0/s1/i9T,15T/t9?,14-,15+,16+,17-,19-.
What are the key properties of (8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
(8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 290.43 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10R,13S,14S)-13-ethyl-9,11-ditritio-2,6,7,8,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 10401982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).