CID 58412133

C11H23O38Si37 — CID 58412133

About CID 58412133

CID 58412133 (PubChem CID 58412133) has the molecular formula C11H23O38Si37 and a molecular weight of 1802.45 g/mol.

Molecular Properties

• Compound Name: CID 58412133
• PubChem CID: 58412133
• Molecular Formula: C11H23O38Si37
• Molecular Weight: 1802.45 g/mol
• Exact Mass: 1798.13
• IUPAC Name: —
• SMILES: C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)[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)[Si]=O
• InChI: InChI=1S/C11H23O38Si37/c1-10(2)11(12)48-8-7-9-85(3,4)49-86(5,6)84(47)83(46)82(45)81(44)80(43)79(42)78(41)77(40)76(39)75(38)74(37)73(36)72(35)71(34)70(33)69(32)68(31)67(30)66(29)65(28)64(27)63(26)62(25)61(24)60(23)59(22)58(21)57(20)56(19)55(18)54(17)53(16)52(15)51(14)50-13/h1,7-9H2,2-6H3
• InChIKey: VVWYEFBCEZLEPR-UHFFFAOYSA-N
• XLogP: -14.52
• TPSA: 632.98 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 42
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1802.45
LogP ≤ 5	-14.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

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 58412133?

The IUPAC name of CID 58412133 (CID 58412133) is not available.

What is the SMILES notation for CID 58412133?

The canonical SMILES for CID 58412133 is C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)[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)[Si]=O.

What is the InChIKey of CID 58412133?

The InChIKey is VVWYEFBCEZLEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O38Si37/c1-10(2)11(12)48-8-7-9-85(3,4)49-86(5,6)84(47)83(46)82(45)81(44)80(43)79(42)78(41)77(40)76(39)75(38)74(37)73(36)72(35)71(34)70(33)69(32)68(31)67(30)66(29)65(28)64(27)63(26)62(25)61(24)60(23)59(22)58(21)57(20)56(19)55(18)54(17)53(16)52(15)51(14)50-13/h1,7-9H2,2-6H3.

What are the key properties of CID 58412133?

CID 58412133 has a molecular weight of 1802.45 g/mol, XLogP of -14.52, 42 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for CID 58412133 is sourced from PubChem (CID 58412133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).