(5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol

C20H33BrO3Si — CID 135046052

About (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol

(5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol (PubChem CID 135046052) has the molecular formula C20H33BrO3Si and a molecular weight of 429.47 g/mol. Its IUPAC name is (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol.

Molecular Properties

• Compound Name: (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol
• PubChem CID: 135046052
• Molecular Formula: C20H33BrO3Si
• Molecular Weight: 429.47 g/mol
• Exact Mass: 428.14
• IUPAC Name: (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol
• SMILES: CC(O)C#C/C=C1\C(Br)=C[C@@H](OC(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H33BrO3Si/c1-14(22)11-10-12-15-16(21)13-17(23-19(2,3)4)18(15)24-25(8,9)20(5,6)7/h12-14,17-18,22H,1-9H3/b15-12+/t14?,17-,18-/m1/s1
• InChIKey: KSNJVIJOHHLJNV-JXTLLDGUSA-N
• XLogP: 5.16
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.47
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol?

The IUPAC name of (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol (CID 135046052) is (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol.

What is the SMILES notation for (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol?

The canonical SMILES for (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol is CC(O)C#C/C=C1\C(Br)=C[C@@H](OC(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol?

The InChIKey is KSNJVIJOHHLJNV-JXTLLDGUSA-N. The full InChI is InChI=1S/C20H33BrO3Si/c1-14(22)11-10-12-15-16(21)13-17(23-19(2,3)4)18(15)24-25(8,9)20(5,6)7/h12-14,17-18,22H,1-9H3/b15-12+/t14?,17-,18-/m1/s1.

What are the key properties of (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol?

(5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol has a molecular weight of 429.47 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol is sourced from PubChem (CID 135046052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).