CID 58528215

C47H104O5Si6 — CID 58528215

IUPAC—
SMILES[CH]CCOCCCC(C)(C(C)(CC[Si](C)(C)OC[Si](C)(C)CC[C@](C)(C(C)(C)O[Si](C)(C)C)C(C)(CCCOCC[CH])[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C47H104O5Si6/c1-27-35-48-37-29-31-46(9,53(11,12)13)44(7,42(3,4)51-55(17,18)19)33-39-57(23,24)41-50-58(25,26)40-34-45(8,43(5,6)52-56(20,21)22)47(10,54(14,15)16)32-30-38-49-36-28-2/h1-2H,27-41H2,3-26H3/t44-,45?,46?,47?/m1/s1
InChIKeyXAGILAVDVJZFEB-BZQUYXIGSA-N
MW917.86 g/mol
LogP15.50
Rot. Bonds31

About CID 58528215

CID 58528215 (PubChem CID 58528215) has the molecular formula C47H104O5Si6 and a molecular weight of 917.86 g/mol.

Molecular Properties

Compound NameCID 58528215
PubChem CID58528215
Molecular FormulaC47H104O5Si6
Molecular Weight917.86 g/mol
Exact Mass916.65
IUPAC Name—
SMILES[CH]CCOCCCC(C)(C(C)(CC[Si](C)(C)OC[Si](C)(C)CC[C@](C)(C(C)(C)O[Si](C)(C)C)C(C)(CCCOCC[CH])[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C47H104O5Si6/c1-27-35-48-37-29-31-46(9,53(11,12)13)44(7,42(3,4)51-55(17,18)19)33-39-57(23,24)41-50-58(25,26)40-34-45(8,43(5,6)52-56(20,21)22)47(10,54(14,15)16)32-30-38-49-36-28-2/h1-2H,27-41H2,3-26H3/t44-,45?,46?,47?/m1/s1
InChIKeyXAGILAVDVJZFEB-BZQUYXIGSA-N
XLogP15.50
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds31
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.86
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58528215?
The IUPAC name of CID 58528215 (CID 58528215) is not available.
What is the SMILES notation for CID 58528215?
The canonical SMILES for CID 58528215 is [CH]CCOCCCC(C)(C(C)(CC[Si](C)(C)OC[Si](C)(C)CC[C@](C)(C(C)(C)O[Si](C)(C)C)C(C)(CCCOCC[CH])[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of CID 58528215?
The InChIKey is XAGILAVDVJZFEB-BZQUYXIGSA-N. The full InChI is InChI=1S/C47H104O5Si6/c1-27-35-48-37-29-31-46(9,53(11,12)13)44(7,42(3,4)51-55(17,18)19)33-39-57(23,24)41-50-58(25,26)40-34-45(8,43(5,6)52-56(20,21)22)47(10,54(14,15)16)32-30-38-49-36-28-2/h1-2H,27-41H2,3-26H3/t44-,45?,46?,47?/m1/s1.
What are the key properties of CID 58528215?
CID 58528215 has a molecular weight of 917.86 g/mol, XLogP of 15.50, 31 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58528215 is sourced from PubChem (CID 58528215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).