methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate

C22H38O4Si — CID 10715671

About methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate

methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate (PubChem CID 10715671) has the molecular formula C22H38O4Si and a molecular weight of 394.63 g/mol. Its IUPAC name is methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate.

Molecular Properties

• Compound Name: methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate
• PubChem CID: 10715671
• Molecular Formula: C22H38O4Si
• Molecular Weight: 394.63 g/mol
• Exact Mass: 394.25
• IUPAC Name: methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate
• SMILES: C=C(C)[C@@H]1CC[C@H]([C@H]2CC/C(=C/C(=O)OC)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H38O4Si/c1-15(2)17-10-11-18(21(17)26-27(7,8)22(3,4)5)19-12-9-16(14-25-19)13-20(23)24-6/h13,17-19,21H,1,9-12,14H2,2-8H3/b16-13-/t17-,18+,19+,21-/m0/s1
• InChIKey: HGFNCJBSAPGLFM-GGEJUFJKSA-N
• XLogP: 5.26
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.63
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate?

The IUPAC name of methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate (CID 10715671) is methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate.

What is the SMILES notation for methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate?

The canonical SMILES for methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate is C=C(C)[C@@H]1CC[C@H]([C@H]2CC/C(=C/C(=O)OC)CO2)[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate?

The InChIKey is HGFNCJBSAPGLFM-GGEJUFJKSA-N. The full InChI is InChI=1S/C22H38O4Si/c1-15(2)17-10-11-18(21(17)26-27(7,8)22(3,4)5)19-12-9-16(14-25-19)13-20(23)24-6/h13,17-19,21H,1,9-12,14H2,2-8H3/b16-13-/t17-,18+,19+,21-/m0/s1.

What are the key properties of methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate?

methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate has a molecular weight of 394.63 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate is sourced from PubChem (CID 10715671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).