cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol

C18H36O2Si — CID 10805101

About cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol

cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol (PubChem CID 10805101) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol.

Molecular Properties

• Compound Name: cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol
• PubChem CID: 10805101
• Molecular Formula: C18H36O2Si
• Molecular Weight: 312.57 g/mol
• Exact Mass: 312.25
• IUPAC Name: cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol
• SMILES: CC(C)C[C@@]1(O)CCC[C@H]1/C=C/CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C18H36O2Si/c1-15(2)14-18(19)12-8-10-16(18)11-9-13-20-21(6,7)17(3,4)5/h9,11,15-16,19H,8,10,12-14H2,1-7H3/b11-9+/t16-,18-/m0/s1
• InChIKey: FBXIOMQNSJZTNC-JQBYDMAESA-N
• XLogP: 5.14
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	312.57
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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 cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol?

The IUPAC name of cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol (CID 10805101) is cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol.

What is the SMILES notation for cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol?

The canonical SMILES for cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol is CC(C)C[C@@]1(O)CCC[C@H]1/C=C/CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol?

The InChIKey is FBXIOMQNSJZTNC-JQBYDMAESA-N. The full InChI is InChI=1S/C18H36O2Si/c1-15(2)14-18(19)12-8-10-16(18)11-9-13-20-21(6,7)17(3,4)5/h9,11,15-16,19H,8,10,12-14H2,1-7H3/b11-9+/t16-,18-/m0/s1.

What are the key properties of cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol?

cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol has a molecular weight of 312.57 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol is sourced from PubChem (CID 10805101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).