ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane

C37H67FO2 — CID 178166033

About ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane

ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane (PubChem CID 178166033) has the molecular formula C37H67FO2 and a molecular weight of 562.94 g/mol. Its IUPAC name is ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane.

Molecular Properties

• Compound Name: ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane
• PubChem CID: 178166033
• Molecular Formula: C37H67FO2
• Molecular Weight: 562.94 g/mol
• Exact Mass: 562.51
• IUPAC Name: ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane
• SMILES: C.CC.CC.CC(CF)CCC[C@@H](C)C1=CCC2C3CC=C4CC(OC(=O)C(C)(C)C)CC[C@@]4(C)C3CCC12C
• InChI: InChI=1S/C32H51FO2.2C2H6.CH4/c1-21(20-33)9-8-10-22(2)26-13-14-27-25-12-11-23-19-24(35-29(34)30(3,4)5)15-17-31(23,6)28(25)16-18-32(26,27)7;2*1-2;/h11,13,21-22,24-25,27-28H,8-10,12,14-20H2,1-7H3;2*1-2H3;1H4/t21?,22-,24?,25?,27?,28?,31-,32?;;;/m1.../s1
• InChIKey: IYUXTDMQWVIRTM-SCOPXWKHSA-N
• XLogP: 11.54
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.94
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane?

The IUPAC name of ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane (CID 178166033) is ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane.

What is the SMILES notation for ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane?

The canonical SMILES for ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane is C.CC.CC.CC(CF)CCC[C@@H](C)C1=CCC2C3CC=C4CC(OC(=O)C(C)(C)C)CC[C@@]4(C)C3CCC12C.

What is the InChIKey of ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane?

The InChIKey is IYUXTDMQWVIRTM-SCOPXWKHSA-N. The full InChI is InChI=1S/C32H51FO2.2C2H6.CH4/c1-21(20-33)9-8-10-22(2)26-13-14-27-25-12-11-23-19-24(35-29(34)30(3,4)5)15-17-31(23,6)28(25)16-18-32(26,27)7;2*1-2;/h11,13,21-22,24-25,27-28H,8-10,12,14-20H2,1-7H3;2*1-2H3;1H4/t21?,22-,24?,25?,27?,28?,31-,32?;;;/m1.../s1.

What are the key properties of ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane?

ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane has a molecular weight of 562.94 g/mol, XLogP of 11.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;[(10S)-17-[(2R)-7-fluoro-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate;methane is sourced from PubChem (CID 178166033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).