ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen

C22H40HoO — CID 155751435

IUPACethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen
SMILESCC.CC(=O)C1CCC2[C@@H]1CCC1[C@H]2CC[C@@H]2C[C@@H](C)CC[C@H]12.[H][H].[Ho]
InChIInChI=1S/C20H32O.C2H6.Ho.H2/c1-12-3-5-16-14(11-12)4-6-19-18(16)10-9-17-15(13(2)21)7-8-20(17)19;1-2;;/h12,14-20H,3-11H2,1-2H3;1-2H3;;1H/t12-,14+,15?,16-,17+,18?,19+,20?;;;/m0.../s1
InChIKeyAHBNMGJGVCIFBF-VUIUMIJMSA-N
MW485.49 g/mol
LogP6.36
Rot. Bonds1

About ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen

ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen (PubChem CID 155751435) has the molecular formula C22H40HoO and a molecular weight of 485.49 g/mol. Its IUPAC name is ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen.

Molecular Properties

Compound Nameethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen
PubChem CID155751435
Molecular FormulaC22H40HoO
Molecular Weight485.49 g/mol
Exact Mass485.24
IUPAC Nameethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen
SMILESCC.CC(=O)C1CCC2[C@@H]1CCC1[C@H]2CC[C@@H]2C[C@@H](C)CC[C@H]12.[H][H].[Ho]
InChIInChI=1S/C20H32O.C2H6.Ho.H2/c1-12-3-5-16-14(11-12)4-6-19-18(16)10-9-17-15(13(2)21)7-8-20(17)19;1-2;;/h12,14-20H,3-11H2,1-2H3;1-2H3;;1H/t12-,14+,15?,16-,17+,18?,19+,20?;;;/m0.../s1
InChIKeyAHBNMGJGVCIFBF-VUIUMIJMSA-N
XLogP6.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen?
The IUPAC name of ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen (CID 155751435) is ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen.
What is the SMILES notation for ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen?
The canonical SMILES for ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen is CC.CC(=O)C1CCC2[C@@H]1CCC1[C@H]2CC[C@@H]2C[C@@H](C)CC[C@H]12.[H][H].[Ho].
What is the InChIKey of ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen?
The InChIKey is AHBNMGJGVCIFBF-VUIUMIJMSA-N. The full InChI is InChI=1S/C20H32O.C2H6.Ho.H2/c1-12-3-5-16-14(11-12)4-6-19-18(16)10-9-17-15(13(2)21)7-8-20(17)19;1-2;;/h12,14-20H,3-11H2,1-2H3;1-2H3;;1H/t12-,14+,15?,16-,17+,18?,19+,20?;;;/m0.../s1.
What are the key properties of ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen?
ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen has a molecular weight of 485.49 g/mol, XLogP of 6.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;holmium;1-[(3S,5R,8R,10S,13S)-3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;molecular hydrogen is sourced from PubChem (CID 155751435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).