ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane

C26H42O6 — CID 142894723

About ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane

ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane (PubChem CID 142894723) has the molecular formula C26H42O6 and a molecular weight of 450.62 g/mol. Its IUPAC name is ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane.

Molecular Properties

• Compound Name: ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane
• PubChem CID: 142894723
• Molecular Formula: C26H42O6
• Molecular Weight: 450.62 g/mol
• Exact Mass: 450.30
• IUPAC Name: ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane
• SMILES: CC.COC.COC(=O)OC1CC[C@@]2(C)C(=CC(OC)C3C2=CCC2(C)C(=O)CCC32)C1
• InChI: InChI=1S/C22H30O5.C2H6O.C2H6/c1-21-9-7-14(27-20(24)26-4)11-13(21)12-17(25-3)19-15-5-6-18(23)22(15,2)10-8-16(19)21;1-3-2;1-2/h8,12,14-15,17,19H,5-7,9-11H2,1-4H3;1-2H3;1-2H3/t14?,15?,17?,19?,21-,22?;;/m0../s1
• InChIKey: YLXAYARGWWVPCR-DRCHXUKLSA-N
• XLogP: 5.50
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.62
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane?

The IUPAC name of ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane (CID 142894723) is ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane.

What is the SMILES notation for ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane?

The canonical SMILES for ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane is CC.COC.COC(=O)OC1CC[C@@]2(C)C(=CC(OC)C3C2=CCC2(C)C(=O)CCC32)C1.

What is the InChIKey of ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane?

The InChIKey is YLXAYARGWWVPCR-DRCHXUKLSA-N. The full InChI is InChI=1S/C22H30O5.C2H6O.C2H6/c1-21-9-7-14(27-20(24)26-4)11-13(21)12-17(25-3)19-15-5-6-18(23)22(15,2)10-8-16(19)21;1-3-2;1-2/h8,12,14-15,17,19H,5-7,9-11H2,1-4H3;1-2H3;1-2H3/t14?,15?,17?,19?,21-,22?;;/m0../s1.

What are the key properties of ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane?

ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane has a molecular weight of 450.62 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;[(10S)-7-methoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] methyl carbonate;methoxymethane is sourced from PubChem (CID 142894723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).