CID 15798742

C30H48PSi — CID 15798742

IUPAC—
SMILESCC(C)c1cc(C(C)C)cc(C(C)(C)[Si](P)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1
InChIInChI=1S/C30H48PSi/c1-18(2)23-13-24(19(3)4)15-26(14-23)30(11,12)32(31)29-27(21(7)8)16-25(20(5)6)17-28(29)22(9)10/h13-22H,31H2,1-12H3
InChIKeyUCJQHRKZFDTUAO-UHFFFAOYSA-N
MW467.77 g/mol
LogP8.89
Rot. Bonds8

About CID 15798742

CID 15798742 (PubChem CID 15798742) has the molecular formula C30H48PSi and a molecular weight of 467.77 g/mol.

Molecular Properties

Compound NameCID 15798742
PubChem CID15798742
Molecular FormulaC30H48PSi
Molecular Weight467.77 g/mol
Exact Mass467.33
IUPAC Name—
SMILESCC(C)c1cc(C(C)C)cc(C(C)(C)[Si](P)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1
InChIInChI=1S/C30H48PSi/c1-18(2)23-13-24(19(3)4)15-26(14-23)30(11,12)32(31)29-27(21(7)8)16-25(20(5)6)17-28(29)22(9)10/h13-22H,31H2,1-12H3
InChIKeyUCJQHRKZFDTUAO-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.77
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 15798742?
The IUPAC name of CID 15798742 (CID 15798742) is not available.
What is the SMILES notation for CID 15798742?
The canonical SMILES for CID 15798742 is CC(C)c1cc(C(C)C)cc(C(C)(C)[Si](P)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.
What is the InChIKey of CID 15798742?
The InChIKey is UCJQHRKZFDTUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48PSi/c1-18(2)23-13-24(19(3)4)15-26(14-23)30(11,12)32(31)29-27(21(7)8)16-25(20(5)6)17-28(29)22(9)10/h13-22H,31H2,1-12H3.
What are the key properties of CID 15798742?
CID 15798742 has a molecular weight of 467.77 g/mol, XLogP of 8.89, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15798742 is sourced from PubChem (CID 15798742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).