ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol

C23H44O — CID 176554336

About ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol

ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol (PubChem CID 176554336) has the molecular formula C23H44O and a molecular weight of 336.60 g/mol. Its IUPAC name is ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol.

Molecular Properties

• Compound Name: ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol
• PubChem CID: 176554336
• Molecular Formula: C23H44O
• Molecular Weight: 336.60 g/mol
• Exact Mass: 336.34
• IUPAC Name: ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol
• SMILES: C=C.CC(C)O.C[C@]12CCCC[C@@H]1CCC1[C@@H]3CCCC3CC[C@@H]12.[H][H]
• InChI: InChI=1S/C18H30.C3H8O.C2H4.H2/c1-18-12-3-2-6-14(18)9-10-16-15-7-4-5-13(15)8-11-17(16)18;1-3(2)4;1-2;/h13-17H,2-12H2,1H3;3-4H,1-2H3;1-2H2;1H/t13?,14-,15-,16?,17+,18+;;;/m1.../s1
• InChIKey: PLSIHIADKLSUSS-DNODOXPPSA-N
• XLogP: 6.85
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	336.60
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol?

The IUPAC name of ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol (CID 176554336) is ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol.

What is the SMILES notation for ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol?

The canonical SMILES for ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol is C=C.CC(C)O.C[C@]12CCCC[C@@H]1CCC1[C@@H]3CCCC3CC[C@@H]12.[H][H].

What is the InChIKey of ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol?

The InChIKey is PLSIHIADKLSUSS-DNODOXPPSA-N. The full InChI is InChI=1S/C18H30.C3H8O.C2H4.H2/c1-18-12-3-2-6-14(18)9-10-16-15-7-4-5-13(15)8-11-17(16)18;1-3(2)4;1-2;/h13-17H,2-12H2,1H3;3-4H,1-2H3;1-2H2;1H/t13?,14-,15-,16?,17+,18+;;;/m1.../s1.

What are the key properties of ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol?

ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol has a molecular weight of 336.60 g/mol, XLogP of 6.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for ethene;(5R,9S,10S,14R)-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen;propan-2-ol is sourced from PubChem (CID 176554336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).