CID 142485577

C27H39NO4Si- — CID 142485577

IUPAC—
SMILESCC(=O)CC[C@@H](CO[Si-](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-21(29)18-19-22(28-25(30)32-26(2,3)4)20-31-33(27(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22H,18-20H2,1-7H3,(H,28,30)/q-1/t22-/m0/s1
InChIKeyHCXGOYJTNGDDGS-QFIPXVFZSA-N
MW469.70 g/mol
LogP4.83
Rot. Bonds9

About CID 142485577

CID 142485577 (PubChem CID 142485577) has the molecular formula C27H39NO4Si- and a molecular weight of 469.70 g/mol.

Molecular Properties

Compound NameCID 142485577
PubChem CID142485577
Molecular FormulaC27H39NO4Si-
Molecular Weight469.70 g/mol
Exact Mass469.27
IUPAC Name—
SMILESCC(=O)CC[C@@H](CO[Si-](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-21(29)18-19-22(28-25(30)32-26(2,3)4)20-31-33(27(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22H,18-20H2,1-7H3,(H,28,30)/q-1/t22-/m0/s1
InChIKeyHCXGOYJTNGDDGS-QFIPXVFZSA-N
XLogP4.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 142485577?
The IUPAC name of CID 142485577 (CID 142485577) is not available.
What is the SMILES notation for CID 142485577?
The canonical SMILES for CID 142485577 is CC(=O)CC[C@@H](CO[Si-](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of CID 142485577?
The InChIKey is HCXGOYJTNGDDGS-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-21(29)18-19-22(28-25(30)32-26(2,3)4)20-31-33(27(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22H,18-20H2,1-7H3,(H,28,30)/q-1/t22-/m0/s1.
What are the key properties of CID 142485577?
CID 142485577 has a molecular weight of 469.70 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142485577 is sourced from PubChem (CID 142485577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).