carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+)

C20H32OW — CID 176554573

IUPACcarbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+)
SMILESCC.O=C1C=C2CCC3C4CC[CH-]C4CCC3C2CC1.[CH3-].[W+2]
InChIInChI=1S/C17H23O.C2H6.CH3.W/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16;1-2;;/h2,10-11,14-17H,1,3-9H2;1-2H3;1H3;/q-1;;-1;+2
InChIKeyROMAMFRQATZARO-UHFFFAOYSA-N
MW472.32 g/mol
LogP5.42
Rot. Bonds

About carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+)

carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+) (PubChem CID 176554573) has the molecular formula C20H32OW and a molecular weight of 472.32 g/mol. Its IUPAC name is carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+).

Molecular Properties

Compound Namecarbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+)
PubChem CID176554573
Molecular FormulaC20H32OW
Molecular Weight472.32 g/mol
Exact Mass472.20
IUPAC Namecarbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+)
SMILESCC.O=C1C=C2CCC3C4CC[CH-]C4CCC3C2CC1.[CH3-].[W+2]
InChIInChI=1S/C17H23O.C2H6.CH3.W/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16;1-2;;/h2,10-11,14-17H,1,3-9H2;1-2H3;1H3;/q-1;;-1;+2
InChIKeyROMAMFRQATZARO-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.32
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+) with MolForge

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Related Compounds

(8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
CID 144685585
(17E)-17-ethylidene-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydrocyclopenta[a]phenanthrene-3,16-dione
CID 118550472
(8S,9S,10R,13S,14S,17S)-17-(3-hydroxyprop-1-ynyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 57177214
(8R,9R,10R,13S,14R)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 6545378
(8S,9R,10S,13R,14R)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 7213685
ethane;17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 157026706
(8R,9S,10R,13S,14S)-13-ethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 10379264
(4bS)-7-propyl-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3H-phenanthren-2-one
CID 58650682
(10R,13S)-13-methyl-17-methylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 54181393
13-methyl-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 18459207
13-methyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,16-dione
CID 162978922
(8R,9S,10S,13S,14S,17R)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 11875292

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+)?
The IUPAC name of carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+) (CID 176554573) is carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+).
What is the SMILES notation for carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+)?
The canonical SMILES for carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+) is CC.O=C1C=C2CCC3C4CC[CH-]C4CCC3C2CC1.[CH3-].[W+2].
What is the InChIKey of carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+)?
The InChIKey is ROMAMFRQATZARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23O.C2H6.CH3.W/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16;1-2;;/h2,10-11,14-17H,1,3-9H2;1-2H3;1H3;/q-1;;-1;+2.
What are the key properties of carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+)?
carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+) has a molecular weight of 472.32 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+) is sourced from PubChem (CID 176554573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).