CID 58412146

C9H17O37Si35 — CID 58412146

About CID 58412146

CID 58412146 (PubChem CID 58412146) has the molecular formula C9H17O37Si35 and a molecular weight of 1700.21 g/mol.

Molecular Properties

• Compound Name: CID 58412146
• PubChem CID: 58412146
• Molecular Formula: C9H17O37Si35
• Molecular Weight: 1700.21 g/mol
• Exact Mass: 1696.14
• IUPAC Name: —
• SMILES: C=C(C)C(=O)OCCC[Si](C)(C)O[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si]=O
• InChI: InChI=1S/C9H17O37Si35/c1-8(2)9(10)45-6-5-7-81(3,4)46-48(12)50(14)52(16)54(18)56(20)58(22)60(24)62(26)64(28)66(30)68(32)70(34)72(36)74(38)76(40)78(42)80(44)79(43)77(41)75(39)73(37)71(35)69(33)67(31)65(29)63(27)61(25)59(23)57(21)55(19)53(17)51(15)49(13)47-11/h1,5-7H2,2-4H3
• InChIKey: SXJXPRFKJRSMFC-UHFFFAOYSA-N
• XLogP: -14.80
• TPSA: 615.91 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 40
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1700.21
LogP ≤ 5	-14.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 58412146?

The IUPAC name of CID 58412146 (CID 58412146) is not available.

What is the SMILES notation for CID 58412146?

The canonical SMILES for CID 58412146 is C=C(C)C(=O)OCCC[Si](C)(C)O[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si]=O.

What is the InChIKey of CID 58412146?

The InChIKey is SXJXPRFKJRSMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O37Si35/c1-8(2)9(10)45-6-5-7-81(3,4)46-48(12)50(14)52(16)54(18)56(20)58(22)60(24)62(26)64(28)66(30)68(32)70(34)72(36)74(38)76(40)78(42)80(44)79(43)77(41)75(39)73(37)71(35)69(33)67(31)65(29)63(27)61(25)59(23)57(21)55(19)53(17)51(15)49(13)47-11/h1,5-7H2,2-4H3.

What are the key properties of CID 58412146?

CID 58412146 has a molecular weight of 1700.21 g/mol, XLogP of -14.80, 40 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for CID 58412146 is sourced from PubChem (CID 58412146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).