CID 59881159

C51H88O12Si3 — CID 59881159

IUPAC—
SMILESCCC(C)C(=O)OC(C)(C)CCC(C)(C)OC(=O)C(CC)CC(C)(CC(C)(C(=O)OC(C)(C)C)C1C(=O)OC(=O)C1C1C2CC(CO[Si]3(C)CC(C)C[Si](C)C[Si](C)C3)C(C2)C1C)C(=O)O
InChIInChI=1S/C51H88O12Si3/c1-18-32(4)41(52)61-48(9,10)20-21-49(11,12)62-42(53)34(19-2)24-50(13,45(56)57)28-51(14,46(58)63-47(6,7)8)40-39(43(54)60-44(40)55)38-33(5)37-23-35(38)22-36(37)25-59-66(17)27-31(3)26-64(15)29-65(16)30-66/h31-40H,18-30H2,1-17H3,(H,56,57)
InChIKeyGWYDALZLCJTILH-UHFFFAOYSA-N
MW977.51 g/mol
LogP10.49
Rot. Bonds20

About CID 59881159

CID 59881159 (PubChem CID 59881159) has the molecular formula C51H88O12Si3 and a molecular weight of 977.51 g/mol.

Molecular Properties

Compound NameCID 59881159
PubChem CID59881159
Molecular FormulaC51H88O12Si3
Molecular Weight977.51 g/mol
Exact Mass976.56
IUPAC Name—
SMILESCCC(C)C(=O)OC(C)(C)CCC(C)(C)OC(=O)C(CC)CC(C)(CC(C)(C(=O)OC(C)(C)C)C1C(=O)OC(=O)C1C1C2CC(CO[Si]3(C)CC(C)C[Si](C)C[Si](C)C3)C(C2)C1C)C(=O)O
InChIInChI=1S/C51H88O12Si3/c1-18-32(4)41(52)61-48(9,10)20-21-49(11,12)62-42(53)34(19-2)24-50(13,45(56)57)28-51(14,46(58)63-47(6,7)8)40-39(43(54)60-44(40)55)38-33(5)37-23-35(38)22-36(37)25-59-66(17)27-31(3)26-64(15)29-65(16)30-66/h31-40H,18-30H2,1-17H3,(H,56,57)
InChIKeyGWYDALZLCJTILH-UHFFFAOYSA-N
XLogP10.49
TPSA168.80 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500977.51
LogP ≤ 510.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 59881159 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 59881159?
The IUPAC name of CID 59881159 (CID 59881159) is not available.
What is the SMILES notation for CID 59881159?
The canonical SMILES for CID 59881159 is CCC(C)C(=O)OC(C)(C)CCC(C)(C)OC(=O)C(CC)CC(C)(CC(C)(C(=O)OC(C)(C)C)C1C(=O)OC(=O)C1C1C2CC(CO[Si]3(C)CC(C)C[Si](C)C[Si](C)C3)C(C2)C1C)C(=O)O.
What is the InChIKey of CID 59881159?
The InChIKey is GWYDALZLCJTILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H88O12Si3/c1-18-32(4)41(52)61-48(9,10)20-21-49(11,12)62-42(53)34(19-2)24-50(13,45(56)57)28-51(14,46(58)63-47(6,7)8)40-39(43(54)60-44(40)55)38-33(5)37-23-35(38)22-36(37)25-59-66(17)27-31(3)26-64(15)29-65(16)30-66/h31-40H,18-30H2,1-17H3,(H,56,57).
What are the key properties of CID 59881159?
CID 59881159 has a molecular weight of 977.51 g/mol, XLogP of 10.49, 20 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59881159 is sourced from PubChem (CID 59881159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).