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

C21H38O3Si — CID 11372032

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

(2Z)-2-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol (PubChem CID 11372032) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is (2Z)-2-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol.

Molecular Properties

• Compound Name: (2Z)-2-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol
• PubChem CID: 11372032
• Molecular Formula: C21H38O3Si
• Molecular Weight: 366.62 g/mol
• Exact Mass: 366.26
• IUPAC Name: (2Z)-2-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol
• SMILES: C=C(C)[C@H]1CC[C@H]([C@H]2CC/C(=C/CO)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H38O3Si/c1-15(2)17-9-10-18(19-11-8-16(12-13-22)14-23-19)20(17)24-25(6,7)21(3,4)5/h12,17-20,22H,1,8-11,13-14H2,2-7H3/b16-12-/t17-,18-,19-,20+/m1/s1
• InChIKey: BDYDNTRWDKYZGQ-QSWXTHSUSA-N
• XLogP: 5.08
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.62
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol (CID 11372032) is (2Z)-2-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol.

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

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

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

The InChIKey is BDYDNTRWDKYZGQ-QSWXTHSUSA-N. The full InChI is InChI=1S/C21H38O3Si/c1-15(2)17-9-10-18(19-11-8-16(12-13-22)14-23-19)20(17)24-25(6,7)21(3,4)5/h12,17-20,22H,1,8-11,13-14H2,2-7H3/b16-12-/t17-,18-,19-,20+/m1/s1.

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

(2Z)-2-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol has a molecular weight of 366.62 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol is sourced from PubChem (CID 11372032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).