CID 70035327

C32H38NO5Si — CID 70035327

IUPAC—
SMILESCC(C)OC(=O)C(C)(C(C)(C)C)[C@@](C)(O[Si])c1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C32H38NO5Si/c1-22(2)36-29(34)31(6,30(3,4)5)32(7,38-39)23-16-18-24(19-17-23)35-21-20-33-25-12-8-10-14-27(25)37-28-15-11-9-13-26(28)33/h8-19,22H,20-21H2,1-7H3/t31?,32-/m0/s1
InChIKeyOSLGYZRVXNBRGM-JYUUXGOASA-N
MW544.74 g/mol
LogP7.33
Rot. Bonds9

About CID 70035327

CID 70035327 (PubChem CID 70035327) has the molecular formula C32H38NO5Si and a molecular weight of 544.74 g/mol.

Molecular Properties

Compound NameCID 70035327
PubChem CID70035327
Molecular FormulaC32H38NO5Si
Molecular Weight544.74 g/mol
Exact Mass544.25
IUPAC Name—
SMILESCC(C)OC(=O)C(C)(C(C)(C)C)[C@@](C)(O[Si])c1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C32H38NO5Si/c1-22(2)36-29(34)31(6,30(3,4)5)32(7,38-39)23-16-18-24(19-17-23)35-21-20-33-25-12-8-10-14-27(25)37-28-15-11-9-13-26(28)33/h8-19,22H,20-21H2,1-7H3/t31?,32-/m0/s1
InChIKeyOSLGYZRVXNBRGM-JYUUXGOASA-N
XLogP7.33
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 70035327?
The IUPAC name of CID 70035327 (CID 70035327) is not available.
What is the SMILES notation for CID 70035327?
The canonical SMILES for CID 70035327 is CC(C)OC(=O)C(C)(C(C)(C)C)[C@@](C)(O[Si])c1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of CID 70035327?
The InChIKey is OSLGYZRVXNBRGM-JYUUXGOASA-N. The full InChI is InChI=1S/C32H38NO5Si/c1-22(2)36-29(34)31(6,30(3,4)5)32(7,38-39)23-16-18-24(19-17-23)35-21-20-33-25-12-8-10-14-27(25)37-28-15-11-9-13-26(28)33/h8-19,22H,20-21H2,1-7H3/t31?,32-/m0/s1.
What are the key properties of CID 70035327?
CID 70035327 has a molecular weight of 544.74 g/mol, XLogP of 7.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70035327 is sourced from PubChem (CID 70035327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).