ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen

C33H50O2 — CID 143761532

About ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen

ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen (PubChem CID 143761532) has the molecular formula C33H50O2 and a molecular weight of 478.76 g/mol. Its IUPAC name is ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen.

Molecular Properties

• Compound Name: ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen
• PubChem CID: 143761532
• Molecular Formula: C33H50O2
• Molecular Weight: 478.76 g/mol
• Exact Mass: 478.38
• IUPAC Name: ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen
• SMILES: C=Cc1ccc(C(=O)C[C@H]2CCc3cc(CCCCC)ccc3C2)cc1.CC.CC[C@@H]1CCCO1.[H][H]
• InChI: InChI=1S/C25H30O.C6H12O.C2H6.H2/c1-3-5-6-7-20-10-14-24-17-21(11-15-23(24)16-20)18-25(26)22-12-8-19(4-2)9-13-22;1-2-6-4-3-5-7-6;1-2;/h4,8-10,12-14,16,21H,2-3,5-7,11,15,17-18H2,1H3;6H,2-5H2,1H3;1-2H3;1H/t21-;6-;;/m01../s1
• InChIKey: VRLFCBUOZDLQFI-AVEJWMKTSA-N
• XLogP: 9.29
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.76
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen?

The IUPAC name of ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen (CID 143761532) is ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen.

What is the SMILES notation for ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen?

The canonical SMILES for ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen is C=Cc1ccc(C(=O)C[C@H]2CCc3cc(CCCCC)ccc3C2)cc1.CC.CC[C@@H]1CCCO1.[H][H].

What is the InChIKey of ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen?

The InChIKey is VRLFCBUOZDLQFI-AVEJWMKTSA-N. The full InChI is InChI=1S/C25H30O.C6H12O.C2H6.H2/c1-3-5-6-7-20-10-14-24-17-21(11-15-23(24)16-20)18-25(26)22-12-8-19(4-2)9-13-22;1-2-6-4-3-5-7-6;1-2;/h4,8-10,12-14,16,21H,2-3,5-7,11,15,17-18H2,1H3;6H,2-5H2,1H3;1-2H3;1H/t21-;6-;;/m01../s1.

What are the key properties of ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen?

ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen has a molecular weight of 478.76 g/mol, XLogP of 9.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-(4-ethenylphenyl)-2-[(2S)-6-pentyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone;(2R)-2-ethyloxolane;molecular hydrogen is sourced from PubChem (CID 143761532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).