1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol

C22H32OSi — CID 10735948

IUPAC1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol
SMILESCCCCCCC(O)C(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H32OSi/c1-4-5-6-13-18-21(23)22(19-14-9-7-10-15-19)24(2,3)20-16-11-8-12-17-20/h7-12,14-17,21-23H,4-6,13,18H2,1-3H3
InChIKeyROTUEBSBTBYVDT-UHFFFAOYSA-N
MW340.58 g/mol
LogP5.26
Rot. Bonds9

About 1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol

1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol (PubChem CID 10735948) has the molecular formula C22H32OSi and a molecular weight of 340.58 g/mol. Its IUPAC name is 1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol.

Molecular Properties

Compound Name1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol
PubChem CID10735948
Molecular FormulaC22H32OSi
Molecular Weight340.58 g/mol
Exact Mass340.22
IUPAC Name1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol
SMILESCCCCCCC(O)C(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H32OSi/c1-4-5-6-13-18-21(23)22(19-14-9-7-10-15-19)24(2,3)20-16-11-8-12-17-20/h7-12,14-17,21-23H,4-6,13,18H2,1-3H3
InChIKeyROTUEBSBTBYVDT-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol?
The IUPAC name of 1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol (CID 10735948) is 1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol.
What is the SMILES notation for 1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol?
The canonical SMILES for 1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol is CCCCCCC(O)C(c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of 1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol?
The InChIKey is ROTUEBSBTBYVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32OSi/c1-4-5-6-13-18-21(23)22(19-14-9-7-10-15-19)24(2,3)20-16-11-8-12-17-20/h7-12,14-17,21-23H,4-6,13,18H2,1-3H3.
What are the key properties of 1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol?
1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol has a molecular weight of 340.58 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(phenyl)silyl]-1-phenyloctan-2-ol is sourced from PubChem (CID 10735948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).