CID 162054930

C35H42OPSi — CID 162054930

IUPAC—
SMILESCC(C)(C)C1=CC2C(Oc3c(P(c4ccccc4)c4ccccc4)cc(C(C)(C)C)cc3C2(C)C)C([SiH2])=C1
InChIInChI=1S/C35H42OPSi/c1-33(2,3)23-19-27-31(36-32-28(35(27,7)8)20-24(22-30(32)38)34(4,5)6)29(21-23)37(25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-22,28,32H,38H2,1-8H3
InChIKeyMDIXUIOOZWTOCR-UHFFFAOYSA-N
MW537.78 g/mol
LogP6.90
Rot. Bonds3

About CID 162054930

CID 162054930 (PubChem CID 162054930) has the molecular formula C35H42OPSi and a molecular weight of 537.78 g/mol.

Molecular Properties

Compound NameCID 162054930
PubChem CID162054930
Molecular FormulaC35H42OPSi
Molecular Weight537.78 g/mol
Exact Mass537.27
IUPAC Name—
SMILESCC(C)(C)C1=CC2C(Oc3c(P(c4ccccc4)c4ccccc4)cc(C(C)(C)C)cc3C2(C)C)C([SiH2])=C1
InChIInChI=1S/C35H42OPSi/c1-33(2,3)23-19-27-31(36-32-28(35(27,7)8)20-24(22-30(32)38)34(4,5)6)29(21-23)37(25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-22,28,32H,38H2,1-8H3
InChIKeyMDIXUIOOZWTOCR-UHFFFAOYSA-N
XLogP6.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.78
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162054930?
The IUPAC name of CID 162054930 (CID 162054930) is not available.
What is the SMILES notation for CID 162054930?
The canonical SMILES for CID 162054930 is CC(C)(C)C1=CC2C(Oc3c(P(c4ccccc4)c4ccccc4)cc(C(C)(C)C)cc3C2(C)C)C([SiH2])=C1.
What is the InChIKey of CID 162054930?
The InChIKey is MDIXUIOOZWTOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42OPSi/c1-33(2,3)23-19-27-31(36-32-28(35(27,7)8)20-24(22-30(32)38)34(4,5)6)29(21-23)37(25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-22,28,32H,38H2,1-8H3.
What are the key properties of CID 162054930?
CID 162054930 has a molecular weight of 537.78 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162054930 is sourced from PubChem (CID 162054930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).