CID 46867348

C22H36O2Si — CID 46867348

IUPAC—
SMILESCC(C)[Si](O/C=C1\C[C]=[C]C(=O)[C@H]2CC(C)(C)C[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C22H36O2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18-10-9-11-21(23)20-13-22(7,8)12-19(18)20/h14-17,19-20H,10,12-13H2,1-8H3/b18-14+/t19-,20-/m0/s1
InChIKeyLNNBTIGAHFHFHX-CWJMTQFSSA-N
MW360.61 g/mol
LogP6.25
Rot. Bonds5

About CID 46867348

CID 46867348 (PubChem CID 46867348) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol.

Molecular Properties

Compound NameCID 46867348
PubChem CID46867348
Molecular FormulaC22H36O2Si
Molecular Weight360.61 g/mol
Exact Mass360.25
IUPAC Name—
SMILESCC(C)[Si](O/C=C1\C[C]=[C]C(=O)[C@H]2CC(C)(C)C[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C22H36O2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18-10-9-11-21(23)20-13-22(7,8)12-19(18)20/h14-17,19-20H,10,12-13H2,1-8H3/b18-14+/t19-,20-/m0/s1
InChIKeyLNNBTIGAHFHFHX-CWJMTQFSSA-N
XLogP6.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.61
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 46867348?
The IUPAC name of CID 46867348 (CID 46867348) is not available.
What is the SMILES notation for CID 46867348?
The canonical SMILES for CID 46867348 is CC(C)[Si](O/C=C1\C[C]=[C]C(=O)[C@H]2CC(C)(C)C[C@@H]12)(C(C)C)C(C)C.
What is the InChIKey of CID 46867348?
The InChIKey is LNNBTIGAHFHFHX-CWJMTQFSSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18-10-9-11-21(23)20-13-22(7,8)12-19(18)20/h14-17,19-20H,10,12-13H2,1-8H3/b18-14+/t19-,20-/m0/s1.
What are the key properties of CID 46867348?
CID 46867348 has a molecular weight of 360.61 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46867348 is sourced from PubChem (CID 46867348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).