potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide

C20H31KO — CID 70146214

IUPACpotassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide
SMILESC=C1CCC2=C(C1)C[C@@H](C)[C@@H]1C3CCC[C@@]3(C)CC[C@@H]21.[K+].[OH-]
InChIInChI=1S/C20H30.K.H2O/c1-13-6-7-16-15(11-13)12-14(2)19-17(16)8-10-20(3)9-4-5-18(19)20;;/h14,17-19H,1,4-12H2,2-3H3;;1H2/q;+1;/p-1/t14-,17+,18?,19+,20+;;/m1../s1
InChIKeyXJDPZBXWGJPPPS-FBQGWVTLSA-M
MW326.57 g/mol
LogP2.72
Rot. Bonds

About potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide

potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide (PubChem CID 70146214) has the molecular formula C20H31KO and a molecular weight of 326.57 g/mol. Its IUPAC name is potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide.

Molecular Properties

Compound Namepotassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide
PubChem CID70146214
Molecular FormulaC20H31KO
Molecular Weight326.57 g/mol
Exact Mass326.20
IUPAC Namepotassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide
SMILESC=C1CCC2=C(C1)C[C@@H](C)[C@@H]1C3CCC[C@@]3(C)CC[C@@H]21.[K+].[OH-]
InChIInChI=1S/C20H30.K.H2O/c1-13-6-7-16-15(11-13)12-14(2)19-17(16)8-10-20(3)9-4-5-18(19)20;;/h14,17-19H,1,4-12H2,2-3H3;;1H2/q;+1;/p-1/t14-,17+,18?,19+,20+;;/m1../s1
InChIKeyXJDPZBXWGJPPPS-FBQGWVTLSA-M
XLogP2.72
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide?
The IUPAC name of potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide (CID 70146214) is potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide.
What is the SMILES notation for potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide?
The canonical SMILES for potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide is C=C1CCC2=C(C1)C[C@@H](C)[C@@H]1C3CCC[C@@]3(C)CC[C@@H]21.[K+].[OH-].
What is the InChIKey of potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide?
The InChIKey is XJDPZBXWGJPPPS-FBQGWVTLSA-M. The full InChI is InChI=1S/C20H30.K.H2O/c1-13-6-7-16-15(11-13)12-14(2)19-17(16)8-10-20(3)9-4-5-18(19)20;;/h14,17-19H,1,4-12H2,2-3H3;;1H2/q;+1;/p-1/t14-,17+,18?,19+,20+;;/m1../s1.
What are the key properties of potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide?
potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide has a molecular weight of 326.57 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide is sourced from PubChem (CID 70146214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).