CID 136765122

C30H49O2Si — CID 136765122

About CID 136765122

CID 136765122 (PubChem CID 136765122) has the molecular formula C30H49O2Si and a molecular weight of 469.81 g/mol.

Molecular Properties

• Compound Name: CID 136765122
• PubChem CID: 136765122
• Molecular Formula: C30H49O2Si
• Molecular Weight: 469.81 g/mol
• Exact Mass: 469.35
• IUPAC Name: —
• SMILES: C[C@H](CCC1OC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[Si])C(C)(C)[C@@H]1CC3
• InChI: InChI=1S/C30H49O2Si/c1-19(9-12-25-27(4,5)31-25)20-13-17-30(8)22-10-11-23-26(2,3)24(32-33)15-16-28(23,6)21(22)14-18-29(20,30)7/h19-20,23-25H,9-18H2,1-8H3/t19-,20-,23+,24+,25?,28-,29-,30+/m1/s1
• InChIKey: SJYILAFXIQLFLE-HICKBLNCSA-N
• XLogP: 7.80
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.81
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 136765122?

The IUPAC name of CID 136765122 (CID 136765122) is not available.

What is the SMILES notation for CID 136765122?

The canonical SMILES for CID 136765122 is C[C@H](CCC1OC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[Si])C(C)(C)[C@@H]1CC3.

What is the InChIKey of CID 136765122?

The InChIKey is SJYILAFXIQLFLE-HICKBLNCSA-N. The full InChI is InChI=1S/C30H49O2Si/c1-19(9-12-25-27(4,5)31-25)20-13-17-30(8)22-10-11-23-26(2,3)24(32-33)15-16-28(23,6)21(22)14-18-29(20,30)7/h19-20,23-25H,9-18H2,1-8H3/t19-,20-,23+,24+,25?,28-,29-,30+/m1/s1.

What are the key properties of CID 136765122?

CID 136765122 has a molecular weight of 469.81 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 136765122 is sourced from PubChem (CID 136765122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).