ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate

C30H42O3Si — CID 140750435

About ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate

ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate (PubChem CID 140750435) has the molecular formula C30H42O3Si and a molecular weight of 478.75 g/mol. Its IUPAC name is ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate.

Molecular Properties

• Compound Name: ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate
• PubChem CID: 140750435
• Molecular Formula: C30H42O3Si
• Molecular Weight: 478.75 g/mol
• Exact Mass: 478.29
• IUPAC Name: ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate
• SMILES: CCOC(=O)/C=C\C1CCCC1[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C30H42O3Si/c1-6-32-29(31)21-20-25-14-13-19-28(25)24(2)22-23-33-34(30(3,4)5,26-15-9-7-10-16-26)27-17-11-8-12-18-27/h7-12,15-18,20-21,24-25,28H,6,13-14,19,22-23H2,1-5H3/b21-20-/t24-,25?,28?/m0/s1
• InChIKey: ZJZUXFVLXQSLNQ-QBDLFXFBSA-N
• XLogP: 6.12
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.75
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate?

The IUPAC name of ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate (CID 140750435) is ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate.

What is the SMILES notation for ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate?

The canonical SMILES for ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate is CCOC(=O)/C=C\C1CCCC1[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate?

The InChIKey is ZJZUXFVLXQSLNQ-QBDLFXFBSA-N. The full InChI is InChI=1S/C30H42O3Si/c1-6-32-29(31)21-20-25-14-13-19-28(25)24(2)22-23-33-34(30(3,4)5,26-15-9-7-10-16-26)27-17-11-8-12-18-27/h7-12,15-18,20-21,24-25,28H,6,13-14,19,22-23H2,1-5H3/b21-20-/t24-,25?,28?/m0/s1.

What are the key properties of ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate?

ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate has a molecular weight of 478.75 g/mol, XLogP of 6.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate is sourced from PubChem (CID 140750435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).